CID 9898952

2-amino-2-(3-methylcyclohexyl)acetic acid

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC1CCCC(C1)C(C(=O)O)N
InChI
InChI=1S/C9H17NO2/c1-6-3-2-4-7(5-6)8(10)9(11)12/h6-8H,2-5,10H2,1H3,(H,11,12)
InChIKey
JXKLPTPNYNKUDP-UHFFFAOYSA-N
Compound name
2-amino-2-(3-methylcyclohexyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

171.12593 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 139.9
[M+Na]+ 194.115148 143.6
[M-H]- 170.118654 140.8
[M+NH4]+ 189.159753 158.7
[M+K]+ 210.089088 142.4
[M+H-H2O]+ 154.123190 134.4
[M+HCOO]- 216.124131 157.5
[M+CH3COO]- 230.139781 180.2
[M+Na-2H]- 192.100596 140.5
[M]+ 171.12538142 133.1
[M]- 171.12647858 133.1
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