CID 12568257

3026595-29-6

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC1(CCC(CC1)CN)C(=O)O
InChI
InChI=1S/C9H17NO2/c1-9(8(11)12)4-2-7(6-10)3-5-9/h7H,2-6,10H2,1H3,(H,11,12)
InChIKey
HSPNFMWHBVESAY-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-1-methylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

171.12593 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 139.1
[M+Na]+ 194.115148 144.0
[M-H]- 170.118654 140.3
[M+NH4]+ 189.159753 160.1
[M+K]+ 210.089088 142.6
[M+H-H2O]+ 154.123190 134.6
[M+HCOO]- 216.124131 157.8
[M+CH3COO]- 230.139781 178.8
[M+Na-2H]- 192.100596 142.3
[M]+ 171.12538142 133.3
[M]- 171.12647858 133.3
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.