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

99
Patents

197.14159 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.148866 146.3
[M+Na]+ 220.130808 150.6
[M-H]- 196.134314 149.2
[M+NH4]+ 215.175413 165.3
[M+K]+ 236.104748 150.0
[M+H-H2O]+ 180.138850 140.6
[M+HCOO]- 242.139791 166.5
[M+CH3COO]- 256.155441 185.2
[M+Na-2H]- 218.116256 151.2
[M]+ 197.14104142 144.2
[M]- 197.14213858 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