CID 66806131

1195561-78-4

Structural Information

Molecular Formula
C8H15NO2
SMILES
CN[C@@H]1CCCC[C@@H]1C(=O)O
InChI
InChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7+/m0/s1
InChIKey
WBWLQVJMCJPYHB-NKWVEPMBSA-N
Compound name
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

157.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 134.4
[M+Na]+ 180.099498 138.7
[M-H]- 156.103004 136.0
[M+NH4]+ 175.144103 154.1
[M+K]+ 196.073438 137.7
[M+H-H2O]+ 140.107540 129.0
[M+HCOO]- 202.108481 154.1
[M+CH3COO]- 216.124131 176.8
[M+Na-2H]- 178.084946 138.0
[M]+ 157.10973142 128.9
[M]- 157.11082858 128.9
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