CID 12636188

1898181-18-4

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCOC(=O)[C@@H]1CCC[C@@H](C1)N
InChI
InChI=1S/C9H17NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h7-8H,2-6,10H2,1H3/t7-,8+/m1/s1
InChIKey
VALZPPHHDRBGHU-SFYZADRCSA-N
Compound name
ethyl (1R,3S)-3-aminocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

171.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 138.9
[M+Na]+ 194.11515 147.7
[M+NH4]+ 189.15975 146.7
[M+K]+ 210.08909 142.7
[M-H]- 170.11865 140.4
[M+Na-2H]- 192.10060 142.5
[M]+ 171.12538 140.1
[M]- 171.12648 140.1
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