CID 2757217

Tert-butyl n-(2-isocyanoethyl)carbamate

Structural Information

Molecular Formula
C8H14N2O2
SMILES
CC(C)(C)OC(=O)NCC[N+]#[C-]
InChI
InChI=1S/C8H14N2O2/c1-8(2,3)12-7(11)10-6-5-9-4/h5-6H2,1-3H3,(H,10,11)
InChIKey
AOPWQDKNHIBIRD-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-isocyanoethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

170.10553 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.112806 144.2
[M+Na]+ 193.094748 151.8
[M-H]- 169.098254 143.8
[M+NH4]+ 188.139353 161.8
[M+K]+ 209.068688 147.1
[M+H-H2O]+ 153.102790 137.7
[M+HCOO]- 215.103731 162.3
[M+CH3COO]- 229.119381 184.4
[M+Na-2H]- 191.080196 150.4
[M]+ 170.10498142 137.5
[M]- 170.10607858 137.5
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