CID 131537127

1538203-13-2

Structural Information

Molecular Formula
C11H17NO3
SMILES
C1CCC2(CC1)CC(=O)NC2CC(=O)O
InChI
InChI=1S/C11H17NO3/c13-9-7-11(4-2-1-3-5-11)8(12-9)6-10(14)15/h8H,1-7H2,(H,12,13)(H,14,15)
InChIKey
VPELOJIJFPNRGK-UHFFFAOYSA-N
Compound name
2-(3-oxo-2-azaspiro[4.5]decan-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.12085 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 149.4
[M+Na]+ 234.110068 153.9
[M-H]- 210.113574 150.0
[M+NH4]+ 229.154673 168.9
[M+K]+ 250.084008 150.9
[M+H-H2O]+ 194.118110 143.7
[M+HCOO]- 256.119051 163.8
[M+CH3COO]- 270.134701 178.6
[M+Na-2H]- 232.095516 150.4
[M]+ 211.12030142 141.5
[M]- 211.12139858 141.5
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.