CID 75381

2359-15-1

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC(=C)C(=O)NCNC(=O)C(=C)C
InChI
InChI=1S/C9H14N2O2/c1-6(2)8(12)10-5-11-9(13)7(3)4/h1,3,5H2,2,4H3,(H,10,12)(H,11,13)
InChIKey
TURITJIWSQEMDB-UHFFFAOYSA-N
Compound name
2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15230
Patents

182.10553 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 143.1
[M+Na]+ 205.094748 147.7
[M-H]- 181.098254 143.2
[M+NH4]+ 200.139353 162.1
[M+K]+ 221.068688 147.1
[M+H-H2O]+ 165.102790 137.5
[M+HCOO]- 227.103731 165.2
[M+CH3COO]- 241.119381 188.5
[M+Na-2H]- 203.080196 143.9
[M]+ 182.10498142 141.1
[M]- 182.10607858 141.1
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