CID 22235314

2-amino-2-(1-methylcyclohexyl)acetic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC1(CCCCC1)C(C(=O)O)N
InChI
InChI=1S/C9H17NO2/c1-9(7(10)8(11)12)5-3-2-4-6-9/h7H,2-6,10H2,1H3,(H,11,12)
InChIKey
ZKVWUXSBUSFWDO-UHFFFAOYSA-N
Compound name
2-amino-2-(1-methylcyclohexyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

171.12593 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 140.2
[M+Na]+ 194.115148 143.9
[M-H]- 170.118654 141.1
[M+NH4]+ 189.159753 160.8
[M+K]+ 210.089088 143.0
[M+H-H2O]+ 154.123190 135.5
[M+HCOO]- 216.124131 157.9
[M+CH3COO]- 230.139781 178.5
[M+Na-2H]- 192.100596 142.7
[M]+ 171.12538142 133.4
[M]- 171.12647858 133.4
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