CID 13734319

Cyclohexanecarbonyl chloride, 5-methyl-2-(1-methylethyl)-

Structural Information

Molecular Formula
C11H19ClO
SMILES
CC1CCC(C(C1)C(=O)Cl)C(C)C
InChI
InChI=1S/C11H19ClO/c1-7(2)9-5-4-8(3)6-10(9)11(12)13/h7-10H,4-6H2,1-3H3
InChIKey
XZZVZSVCQGUKOJ-UHFFFAOYSA-N
Compound name
5-methyl-2-propan-2-ylcyclohexane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

202.11244 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.119716 145.1
[M+Na]+ 225.101658 151.1
[M-H]- 201.105164 148.0
[M+NH4]+ 220.146263 165.4
[M+K]+ 241.075598 148.2
[M+H-H2O]+ 185.109700 140.9
[M+HCOO]- 247.110641 158.6
[M+CH3COO]- 261.126291 187.5
[M+Na-2H]- 223.087106 145.1
[M]+ 202.11189142 143.7
[M]- 202.11298858 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe