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]+ 144.10192 131.5
[M+Na]+ 166.08386 138.4
[M-H]- 142.08736 131.5
[M+NH4]+ 161.12846 152.7
[M+K]+ 182.05780 138.1
[M+H-H2O]+ 126.09190 127.2
[M+HCOO]- 188.09284 153.7
[M+CH3COO]- 202.10849 176.1
[M+Na-2H]- 164.06931 136.6
[M]+ 143.09409 131.5
[M]- 143.09519 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