CID 55268101

Methyl 2-amino-3-(cyclohex-3-en-1-yl)propanoate hydrochloride

Structural Information

Molecular Formula
C10H17NO2
SMILES
COC(=O)C(CC1CCC=CC1)N
InChI
InChI=1S/C10H17NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-3,8-9H,4-7,11H2,1H3
InChIKey
GILOISVDJZEOGW-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-cyclohex-3-en-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 142.8
[M+Na]+ 206.11515 146.6
[M-H]- 182.11865 145.0
[M+NH4]+ 201.15975 161.7
[M+K]+ 222.08909 145.9
[M+H-H2O]+ 166.12319 136.6
[M+HCOO]- 228.12413 163.2
[M+CH3COO]- 242.13978 183.4
[M+Na-2H]- 204.10060 145.1
[M]+ 183.12538 139.2
[M]- 183.12648 139.2
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

No patent data available for this compound.