CID 44936

63884-48-0

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC1CC(CC(C1)(C#C)OC(=O)N)C
InChI
InChI=1S/C11H17NO2/c1-4-11(14-10(12)13)6-8(2)5-9(3)7-11/h1,8-9H,5-7H2,2-3H3,(H2,12,13)
InChIKey
IWXFPCQUGQFOCN-UHFFFAOYSA-N
Compound name
(1-ethynyl-3,5-dimethylcyclohexyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 144.7
[M+Na]+ 218.115148 153.4
[M-H]- 194.118654 146.6
[M+NH4]+ 213.159753 163.6
[M+K]+ 234.089088 149.8
[M+H-H2O]+ 178.123190 134.3
[M+HCOO]- 240.124131 159.1
[M+CH3COO]- 254.139781 193.8
[M+Na-2H]- 216.100596 146.3
[M]+ 195.12538142 136.3
[M]- 195.12647858 136.3
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

No patent data available for this compound.