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]+ 185.12847 147.7
[M+Na]+ 207.11041 155.2
[M-H]- 183.11391 148.5
[M+NH4]+ 202.15501 165.4
[M+K]+ 223.08435 151.4
[M+H-H2O]+ 167.11845 140.9
[M+HCOO]- 229.11939 166.0
[M+CH3COO]- 243.13504 190.4
[M+Na-2H]- 205.09586 152.8
[M]+ 184.12064 142.5
[M]- 184.12174 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.