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]+ 196.13321 144.7
[M+Na]+ 218.11515 153.4
[M-H]- 194.11865 146.6
[M+NH4]+ 213.15975 163.6
[M+K]+ 234.08909 149.8
[M+H-H2O]+ 178.12319 134.3
[M+HCOO]- 240.12413 159.1
[M+CH3COO]- 254.13978 193.8
[M+Na-2H]- 216.10060 146.3
[M]+ 195.12538 136.3
[M]- 195.12648 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.