CID 20525117

Tert-butyl n-(3-isocyanatopropyl)carbamate

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CC(C)(C)OC(=O)NCCCN=C=O
InChI
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-4-5-10-7-12/h4-6H2,1-3H3,(H,11,13)
InChIKey
WSTWKGLCTVICLN-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-isocyanatopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

200.11609 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.123366 145.3
[M+Na]+ 223.105308 151.3
[M-H]- 199.108814 146.9
[M+NH4]+ 218.149913 164.9
[M+K]+ 239.079248 151.6
[M+H-H2O]+ 183.113350 139.7
[M+HCOO]- 245.114291 170.5
[M+CH3COO]- 259.129941 190.3
[M+Na-2H]- 221.090756 151.3
[M]+ 200.11554142 148.8
[M]- 200.11663858 148.8
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

patents stripe