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

16
Patents

200.11609 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12337 145.3
[M+Na]+ 223.10531 151.3
[M-H]- 199.10881 146.9
[M+NH4]+ 218.14991 164.9
[M+K]+ 239.07925 151.6
[M+H-H2O]+ 183.11335 139.7
[M+HCOO]- 245.11429 170.5
[M+CH3COO]- 259.12994 190.3
[M+Na-2H]- 221.09076 151.3
[M]+ 200.11554 148.8
[M]- 200.11664 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