CID 91692459

66553-50-2

Structural Information

Molecular Formula
C12H24
SMILES
C[C@@H]1CCC[C@H]1CCCC(C)C
InChI
InChI=1S/C12H24/c1-10(2)6-4-8-12-9-5-7-11(12)3/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKey
YWCSZNJUSYMHHA-VXGBXAGGSA-N
Compound name
cis-(1R,2S)-1-methyl-2-(4-methylpentyl)cyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.1878 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.195076 144.5
[M+Na]+ 191.177018 149.2
[M-H]- 167.180524 147.2
[M+NH4]+ 186.221623 167.0
[M+K]+ 207.150958 147.7
[M+H-H2O]+ 151.185060 139.2
[M+HCOO]- 213.186001 164.8
[M+CH3COO]- 227.201651 183.4
[M+Na-2H]- 189.162466 144.9
[M]+ 168.18725142 143.0
[M]- 168.18834858 143.0
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.