CID 102036146

Tert-butyl n-(imidazolidin-2-ylidene)carbamate

Structural Information

Molecular Formula
C8H15N3O2
SMILES
CC(C)(C)OC(=O)NC1=NCCN1
InChI
InChI=1S/C8H15N3O2/c1-8(2,3)13-7(12)11-6-9-4-5-10-6/h4-5H2,1-3H3,(H2,9,10,11,12)
InChIKey
RMVWLHAAAGYUMR-UHFFFAOYSA-N
Compound name
tert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.11642 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.123696 143.2
[M+Na]+ 208.105638 149.2
[M-H]- 184.109144 142.7
[M+NH4]+ 203.150243 161.2
[M+K]+ 224.079578 148.3
[M+H-H2O]+ 168.113680 136.4
[M+HCOO]- 230.114621 162.4
[M+CH3COO]- 244.130271 178.0
[M+Na-2H]- 206.091086 148.0
[M]+ 185.11587142 141.0
[M]- 185.11696858 141.0
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

No patent data available for this compound.