CID 85917

15846-26-1

Structural Information

Molecular Formula
C8H14N2O2
SMILES
CC(C)C(=O)NC(=CC(=O)N)C
InChI
InChI=1S/C8H14N2O2/c1-5(2)8(12)10-6(3)4-7(9)11/h4-5H,1-3H3,(H2,9,11)(H,10,12)
InChIKey
JBKZUDJFOSCJDL-UHFFFAOYSA-N
Compound name
3-(2-methylpropanoylamino)but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

170.10553 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.112806 140.5
[M+Na]+ 193.094748 145.3
[M-H]- 169.098254 140.3
[M+NH4]+ 188.139353 159.8
[M+K]+ 209.068688 145.2
[M+H-H2O]+ 153.102790 135.0
[M+HCOO]- 215.103731 162.2
[M+CH3COO]- 229.119381 185.8
[M+Na-2H]- 191.080196 140.7
[M]+ 170.10498142 137.8
[M]- 170.10607858 137.8
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