CID 146049508

5-amino-2,4-dimethylpent-2-enoic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC(CN)/C=C(\C)/C(=O)O
InChI
InChI=1S/C7H13NO2/c1-5(4-8)3-6(2)7(9)10/h3,5H,4,8H2,1-2H3,(H,9,10)/b6-3+
InChIKey
TUGGIBGPJQNNJF-ZZXKWVIFSA-N
Compound name
(E)-5-amino-2,4-dimethylpent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 133.4
[M+Na]+ 166.083858 138.9
[M-H]- 142.087364 131.8
[M+NH4]+ 161.128463 153.5
[M+K]+ 182.057798 138.2
[M+H-H2O]+ 126.091900 128.7
[M+HCOO]- 188.092841 153.6
[M+CH3COO]- 202.108491 175.8
[M+Na-2H]- 164.069306 134.6
[M]+ 143.09409142 130.7
[M]- 143.09518858 130.7
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.