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
4
Annotation Hits

0
References

990
Patents

197.11642 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 146.3
[M+Na]+ 220.105638 151.5
[M-H]- 196.109144 145.3
[M+NH4]+ 215.150243 163.4
[M+K]+ 236.079578 149.4
[M+H-H2O]+ 180.113680 139.1
[M+HCOO]- 242.114621 164.6
[M+CH3COO]- 256.130271 183.5
[M+Na-2H]- 218.091086 146.9
[M]+ 197.11587142 142.2
[M]- 197.11696858 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