CID 222863

Ethyl 1-aminocyclohexane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCOC(=O)C1(CCCCC1)N
InChI
InChI=1S/C9H17NO2/c1-2-12-8(11)9(10)6-4-3-5-7-9/h2-7,10H2,1H3
InChIKey
KUAFMPWKUNNUEC-UHFFFAOYSA-N
Compound name
ethyl 1-aminocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

171.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.3
[M+Na]+ 194.11515 143.8
[M-H]- 170.11865 141.6
[M+NH4]+ 189.15975 160.8
[M+K]+ 210.08909 143.3
[M+H-H2O]+ 154.12319 134.2
[M+HCOO]- 216.12413 159.6
[M+CH3COO]- 230.13978 179.5
[M+Na-2H]- 192.10060 143.6
[M]+ 171.12538 134.9
[M]- 171.12648 134.9
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