CID 76531

3089-19-8

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC(=C)C(=O)NCCN1CCNC1=O
InChI
InChI=1S/C9H15N3O2/c1-7(2)8(13)10-3-5-12-6-4-11-9(12)14/h1,3-6H2,2H3,(H,10,13)(H,11,14)
InChIKey
ZHNZXPCKMAJBQQ-UHFFFAOYSA-N
Compound name
2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

958
Patents

197.11642 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 146.3
[M+Na]+ 220.10564 151.5
[M-H]- 196.10914 145.3
[M+NH4]+ 215.15024 163.4
[M+K]+ 236.07958 149.4
[M+H-H2O]+ 180.11368 139.1
[M+HCOO]- 242.11462 164.6
[M+CH3COO]- 256.13027 183.5
[M+Na-2H]- 218.09109 146.9
[M]+ 197.11587 142.2
[M]- 197.11697 142.2
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