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]+ 186.12370 143.2
[M+Na]+ 208.10564 149.2
[M-H]- 184.10914 142.7
[M+NH4]+ 203.15024 161.2
[M+K]+ 224.07958 148.3
[M+H-H2O]+ 168.11368 136.4
[M+HCOO]- 230.11462 162.4
[M+CH3COO]- 244.13027 178.0
[M+Na-2H]- 206.09109 148.0
[M]+ 185.11587 141.0
[M]- 185.11697 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.