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
cis-ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

171.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 139.2
[M+Na]+ 194.115148 143.6
[M-H]- 170.118654 141.5
[M+NH4]+ 189.159753 158.9
[M+K]+ 210.089088 142.9
[M+H-H2O]+ 154.123190 133.4
[M+HCOO]- 216.124131 159.4
[M+CH3COO]- 230.139781 181.1
[M+Na-2H]- 192.100596 141.6
[M]+ 171.12538142 134.8
[M]- 171.12647858 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