CID 137964040

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

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC(C)(/C=C/C(=O)OC)N
InChI
InChI=1S/C7H13NO2/c1-7(2,8)5-4-6(9)10-3/h4-5H,8H2,1-3H3/b5-4+
InChIKey
XXVONOGOWLAWJW-SNAWJCMRSA-N
Compound name
methyl (E)-4-amino-4-methylpent-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

143.09464 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 131.5
[M+Na]+ 166.083858 138.4
[M-H]- 142.087364 131.5
[M+NH4]+ 161.128463 152.7
[M+K]+ 182.057798 138.1
[M+H-H2O]+ 126.091900 127.2
[M+HCOO]- 188.092841 153.7
[M+CH3COO]- 202.108491 176.1
[M+Na-2H]- 164.069306 136.6
[M]+ 143.09409142 131.5
[M]- 143.09518858 131.5
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

patents stripe