CID 55288906

Methyl (2e)-4-amino-2-methylbut-2-enoate hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
C/C(=C\CN)/C(=O)OC
InChI
InChI=1S/C6H11NO2/c1-5(3-4-7)6(8)9-2/h3H,4,7H2,1-2H3/b5-3+
InChIKey
VOUQXKFPLUQLQW-HWKANZROSA-N
Compound name
methyl (E)-4-amino-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.07898 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 127.8
[M+Na]+ 152.06820 134.5
[M-H]- 128.07170 127.8
[M+NH4]+ 147.11280 149.4
[M+K]+ 168.04214 134.5
[M+H-H2O]+ 112.07624 123.1
[M+HCOO]- 174.07718 150.9
[M+CH3COO]- 188.09283 173.7
[M+Na-2H]- 150.05365 131.5
[M]+ 129.07843 127.2
[M]- 129.07953 127.2
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.