CID 10197918

Dtxsid50885460

Structural Information

Molecular Formula
C10H19Cl
SMILES
C[C@H]1CC[C@@H]([C@H](C1)Cl)C(C)C
InChI
InChI=1S/C10H19Cl/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m0/s1
InChIKey
OMLOJNNKKPNVKN-AEJSXWLSSA-N
Compound name
(1R,2S,4S)-2-chloro-4-methyl-1-propan-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

174.11752 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12480 139.3
[M+Na]+ 197.10674 145.6
[M-H]- 173.11024 142.2
[M+NH4]+ 192.15134 160.8
[M+K]+ 213.08068 142.6
[M+H-H2O]+ 157.11478 135.1
[M+HCOO]- 219.11572 153.6
[M+CH3COO]- 233.13137 182.5
[M+Na-2H]- 195.09219 140.9
[M]+ 174.11697 137.2
[M]- 174.11807 137.2
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