CID 82519

10288-28-5

Structural Information

Molecular Formula
C5H8N4O
SMILES
CC(C)(C#N)N=NC(=O)N
InChI
InChI=1S/C5H8N4O/c1-5(2,3-6)9-8-4(7)10/h1-2H3,(H2,7,10)
InChIKey
CKSAKVMRQYOFBC-UHFFFAOYSA-N
Compound name
2-cyanopropan-2-yliminourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11740
Patents

140.06981 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.07709 132.1
[M+Na]+ 163.05903 140.0
[M-H]- 139.06253 135.0
[M+NH4]+ 158.10363 151.5
[M+K]+ 179.03297 141.8
[M+H-H2O]+ 123.06707 119.9
[M+HCOO]- 185.06801 155.4
[M+CH3COO]- 199.08366 196.6
[M+Na-2H]- 161.04448 138.6
[M]+ 140.06926 126.8
[M]- 140.07036 126.8
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