CID 165991736

2-[(tert-butoxy)carbonyl]-7-(methoxycarbonyl)-2,7-diazaspiro[3.5]nonane-1-carboxylic acid

Structural Information

Molecular Formula
C15H24N2O6
SMILES
CC(C)(C)OC(=O)N1CC2(C1C(=O)O)CCN(CC2)C(=O)OC
InChI
InChI=1S/C15H24N2O6/c1-14(2,3)23-13(21)17-9-15(10(17)11(18)19)5-7-16(8-6-15)12(20)22-4/h10H,5-9H2,1-4H3,(H,18,19)
InChIKey
RPDLPOGATLINHW-UHFFFAOYSA-N
Compound name
7-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.16342 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17070 177.0
[M+Na]+ 351.15264 179.5
[M-H]- 327.15614 177.6
[M+NH4]+ 346.19724 183.3
[M+K]+ 367.12658 183.1
[M+H-H2O]+ 311.16068 165.7
[M+HCOO]- 373.16162 186.4
[M+CH3COO]- 387.17727 206.4
[M+Na-2H]- 349.13809 176.6
[M]+ 328.16287 185.2
[M]- 328.16397 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.