CID 5526

701-54-2

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CC(CCC1CN)C(=O)O
InChI
InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)
InChIKey
GYDJEQRTZSCIOI-UHFFFAOYSA-N
Compound name
4-(aminomethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

6226
References

52837
Patents

157.11028 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.0
[M+Na]+ 180.09950 139.4
[M-H]- 156.10300 136.0
[M+NH4]+ 175.14410 154.5
[M+K]+ 196.07344 137.9
[M+H-H2O]+ 140.10754 129.6
[M+HCOO]- 202.10848 154.0
[M+CH3COO]- 216.12413 176.2
[M+Na-2H]- 178.08495 137.5
[M]+ 157.10973 128.5
[M]- 157.11083 128.5
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.