CID 137965990

2490375-45-4

Structural Information

Molecular Formula
C10H15NO3
SMILES
C1CC2(C1)C3(CC(C3)(O2)CN)C(=O)O
InChI
InChI=1S/C10H15NO3/c11-6-8-4-9(5-8,7(12)13)10(14-8)2-1-3-10/h1-6,11H2,(H,12,13)
InChIKey
NVVIBRHNYUFMNM-UHFFFAOYSA-N
Compound name
1-(aminomethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 155.2
[M+Na]+ 220.09442 158.4
[M-H]- 196.09792 158.5
[M+NH4]+ 215.13902 170.1
[M+K]+ 236.06836 161.8
[M+H-H2O]+ 180.10246 146.5
[M+HCOO]- 242.10340 167.9
[M+CH3COO]- 256.11905 195.7
[M+Na-2H]- 218.07987 161.2
[M]+ 197.10465 173.2
[M]- 197.10575 173.2
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.