CID 818060

180979-17-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

171.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.2
[M+Na]+ 194.11515 143.6
[M-H]- 170.11865 141.5
[M+NH4]+ 189.15975 158.9
[M+K]+ 210.08909 142.9
[M+H-H2O]+ 154.12319 133.4
[M+HCOO]- 216.12413 159.4
[M+CH3COO]- 230.13978 181.1
[M+Na-2H]- 192.10060 141.6
[M]+ 171.12538 134.8
[M]- 171.12648 134.8
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