CID 228213

98552-54-6

Structural Information

Molecular Formula
C8H15NO2
SMILES
CNC1(CCCCC1)C(=O)O
InChI
InChI=1S/C8H15NO2/c1-9-8(7(10)11)5-3-2-4-6-8/h9H,2-6H2,1H3,(H,10,11)
InChIKey
HVYIHHARGXZADR-UHFFFAOYSA-N
Compound name
1-(methylamino)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

157.11028 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 134.7
[M+Na]+ 180.09950 139.0
[M-H]- 156.10300 136.2
[M+NH4]+ 175.14410 156.1
[M+K]+ 196.07344 138.2
[M+H-H2O]+ 140.10754 130.0
[M+HCOO]- 202.10848 154.3
[M+CH3COO]- 216.12413 175.2
[M+Na-2H]- 178.08495 140.1
[M]+ 157.10973 129.1
[M]- 157.11083 129.1
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

patents stripe