CID 35699

Isocarbamid

Structural Information

Molecular Formula
C8H15N3O2
SMILES
CC(C)CNC(=O)N1CCNC1=O
InChI
InChI=1S/C8H15N3O2/c1-6(2)5-10-8(13)11-4-3-9-7(11)12/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)
InChIKey
SBYAVOHNDJTVPA-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)-2-oxoimidazolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

6559
Patents

185.11642 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12370 143.3
[M+Na]+ 208.10564 148.7
[M-H]- 184.10914 142.5
[M+NH4]+ 203.15024 161.1
[M+K]+ 224.07958 147.4
[M+H-H2O]+ 168.11368 136.2
[M+HCOO]- 230.11462 161.7
[M+CH3COO]- 244.13027 180.6
[M+Na-2H]- 206.09109 144.3
[M]+ 185.11587 139.4
[M]- 185.11697 139.4
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