CID 138799

Crotonic acid, 2-acetamido-3-methyl-

Structural Information

Molecular Formula
C7H11NO3
SMILES
CC(=C(C(=O)O)NC(=O)C)C
InChI
InChI=1S/C7H11NO3/c1-4(2)6(7(10)11)8-5(3)9/h1-3H3,(H,8,9)(H,10,11)
InChIKey
VVBDLUDKPUDRKT-UHFFFAOYSA-N
Compound name
2-acetamido-3-methylbut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

157.0739 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 134.1
[M+Na]+ 180.063118 139.7
[M-H]- 156.066624 133.2
[M+NH4]+ 175.107723 153.8
[M+K]+ 196.037058 139.8
[M+H-H2O]+ 140.071160 129.4
[M+HCOO]- 202.072101 154.5
[M+CH3COO]- 216.087751 177.9
[M+Na-2H]- 178.048566 135.3
[M]+ 157.07335142 132.5
[M]- 157.07444858 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe