CID 55265307

Tert-butyl n-(4-isocyanobutyl)carbamate

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CC(C)(C)OC(=O)NCCCC[N+]#[C-]
InChI
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-8-6-5-7-11-4/h5-8H2,1-3H3,(H,12,13)
InChIKey
IQLSCBFFDOONPZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-isocyanobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.13683 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.144106 152.4
[M+Na]+ 221.126048 159.3
[M-H]- 197.129554 151.7
[M+NH4]+ 216.170653 169.0
[M+K]+ 237.099988 154.1
[M+H-H2O]+ 181.134090 145.6
[M+HCOO]- 243.135031 170.0
[M+CH3COO]- 257.150681 189.9
[M+Na-2H]- 219.111496 157.7
[M]+ 198.13628142 146.4
[M]- 198.13737858 146.4
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.