CID 154814494

2503209-39-8

Structural Information

Molecular Formula
C15H25NO5
SMILES
CC(C)(C)OC(=O)NCC1CCC2(CC(C2)C(=O)O)CO1
InChI
InChI=1S/C15H25NO5/c1-14(2,3)21-13(19)16-8-11-4-5-15(9-20-11)6-10(7-15)12(17)18/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
ZWTBOKTUBAAWQV-UHFFFAOYSA-N
Compound name
7-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-oxaspiro[3.5]nonane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.17328 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.18056 169.4
[M+Na]+ 322.16250 170.3
[M-H]- 298.16600 172.9
[M+NH4]+ 317.20710 177.7
[M+K]+ 338.13644 174.3
[M+H-H2O]+ 282.17054 158.8
[M+HCOO]- 344.17148 182.1
[M+CH3COO]- 358.18713 204.0
[M+Na-2H]- 320.14795 171.8
[M]+ 299.17273 176.1
[M]- 299.17383 176.1
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.