CID 738051

1956437-96-9

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CCC(CC1)[C@H](CC(=O)O)N
InChI
InChI=1S/C9H17NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
InChIKey
XGRSAFKZAGGXJV-QMMMGPOBSA-N
Compound name
(3S)-3-amino-3-cyclohexylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

171.12593 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 140.3
[M+Na]+ 194.11515 143.0
[M-H]- 170.11865 140.8
[M+NH4]+ 189.15975 158.8
[M+K]+ 210.08909 141.8
[M+H-H2O]+ 154.12319 134.5
[M+HCOO]- 216.12413 158.0
[M+CH3COO]- 230.13978 179.0
[M+Na-2H]- 192.10060 141.6
[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

literature stripe

Patent stripe

patents stripe