CID 10877146

Methyl 2-aminopent-4-enoate hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
COC(=O)C(CC=C)N
InChI
InChI=1S/C6H11NO2/c1-3-4-5(7)6(8)9-2/h3,5H,1,4,7H2,2H3
InChIKey
JHQZRHILTYGZQL-UHFFFAOYSA-N
Compound name
methyl 2-aminopent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

129.07898 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 127.6
[M+Na]+ 152.068198 134.2
[M-H]- 128.071704 127.5
[M+NH4]+ 147.112803 149.1
[M+K]+ 168.042138 134.1
[M+H-H2O]+ 112.076240 122.8
[M+HCOO]- 174.077181 150.7
[M+CH3COO]- 188.092831 174.4
[M+Na-2H]- 150.053646 131.2
[M]+ 129.07843142 127.1
[M]- 129.07952858 127.1
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