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

8
Patents

171.12593 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.9
[M+Na]+ 194.11515 143.6
[M-H]- 170.11865 140.8
[M+NH4]+ 189.15975 158.7
[M+K]+ 210.08909 142.4
[M+H-H2O]+ 154.12319 134.4
[M+HCOO]- 216.12413 157.5
[M+CH3COO]- 230.13978 180.2
[M+Na-2H]- 192.10060 140.5
[M]+ 171.12538 133.1
[M]- 171.12648 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