CID 82655310

Tert-butyl n-(2-isocyanoethyl)-n-methylcarbamate

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC(C)(C)OC(=O)N(C)CC[N+]#[C-]
InChI
InChI=1S/C9H16N2O2/c1-9(2,3)13-8(12)11(5)7-6-10-4/h6-7H2,1-3,5H3
InChIKey
CUZRJPFBTYYUON-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-isocyanoethyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.128466 147.7
[M+Na]+ 207.110408 155.2
[M-H]- 183.113914 148.5
[M+NH4]+ 202.155013 165.4
[M+K]+ 223.084348 151.4
[M+H-H2O]+ 167.118450 140.9
[M+HCOO]- 229.119391 166.0
[M+CH3COO]- 243.135041 190.4
[M+Na-2H]- 205.095856 152.8
[M]+ 184.12064142 142.5
[M]- 184.12173858 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.