CID 177799448

Sodium 2-{9-[(tert-butoxy)carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl}acetate

Structural Information

Molecular Formula
C15H26N2O5
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CN(CCO2)CC(=O)O
InChI
InChI=1S/C15H26N2O5/c1-14(2,3)22-13(20)17-6-4-15(5-7-17)11-16(8-9-21-15)10-12(18)19/h4-11H2,1-3H3,(H,18,19)
InChIKey
KYDSMPDKUWOJSP-UHFFFAOYSA-N
Compound name
2-[9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.18417 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19145 174.3
[M+Na]+ 337.17339 176.8
[M-H]- 313.17689 174.9
[M+NH4]+ 332.21799 186.0
[M+K]+ 353.14733 177.3
[M+H-H2O]+ 297.18143 167.1
[M+HCOO]- 359.18237 182.4
[M+CH3COO]- 373.19802 200.4
[M+Na-2H]- 335.15884 176.6
[M]+ 314.18362 170.5
[M]- 314.18472 170.5
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.