CID 11063381

Tert-butyl cyclohex-3-enylcarbamate

Structural Information

Molecular Formula
C11H19NO2
SMILES
CC(C)(C)OC(=O)NC1CCC=CC1
InChI
InChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h4-5,9H,6-8H2,1-3H3,(H,12,13)
InChIKey
IRBIWNJTHWLIMD-UHFFFAOYSA-N
Compound name
tert-butyl N-cyclohex-3-en-1-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

197.14159 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 146.3
[M+Na]+ 220.13081 150.6
[M-H]- 196.13431 149.2
[M+NH4]+ 215.17541 165.3
[M+K]+ 236.10475 150.0
[M+H-H2O]+ 180.13885 140.6
[M+HCOO]- 242.13979 166.5
[M+CH3COO]- 256.15544 185.2
[M+Na-2H]- 218.11626 151.2
[M]+ 197.14104 144.2
[M]- 197.14214 144.2
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