CID 55254307

Methyl (2e)-5-aminopent-2-enoate hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
COC(=O)/C=C/CCN
InChI
InChI=1S/C6H11NO2/c1-9-6(8)4-2-3-5-7/h2,4H,3,5,7H2,1H3/b4-2+
InChIKey
YIASMVVBRSAEBL-DUXPYHPUSA-N
Compound name
methyl (E)-5-aminopent-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.07898 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 127.3
[M+Na]+ 152.06820 134.2
[M-H]- 128.07170 127.2
[M+NH4]+ 147.11280 149.0
[M+K]+ 168.04214 133.7
[M+H-H2O]+ 112.07624 122.5
[M+HCOO]- 174.07718 151.4
[M+CH3COO]- 188.09283 172.8
[M+Na-2H]- 150.05365 132.3
[M]+ 129.07843 127.4
[M]- 129.07953 127.4
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.