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]+ 199.14411 152.4
[M+Na]+ 221.12605 159.3
[M-H]- 197.12955 151.7
[M+NH4]+ 216.17065 169.0
[M+K]+ 237.09999 154.1
[M+H-H2O]+ 181.13409 145.6
[M+HCOO]- 243.13503 170.0
[M+CH3COO]- 257.15068 189.9
[M+Na-2H]- 219.11150 157.7
[M]+ 198.13628 146.4
[M]- 198.13738 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.