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]+ 184.133206 142.8
[M+Na]+ 206.115148 146.6
[M-H]- 182.118654 145.0
[M+NH4]+ 201.159753 161.7
[M+K]+ 222.089088 145.9
[M+H-H2O]+ 166.123190 136.6
[M+HCOO]- 228.124131 163.2
[M+CH3COO]- 242.139781 183.4
[M+Na-2H]- 204.100596 145.1
[M]+ 183.12538142 139.2
[M]- 183.12647858 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.