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
(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]+ 169.19508 144.5
[M+Na]+ 191.17702 149.2
[M-H]- 167.18052 147.2
[M+NH4]+ 186.22162 167.0
[M+K]+ 207.15096 147.7
[M+H-H2O]+ 151.18506 139.2
[M+HCOO]- 213.18600 164.8
[M+CH3COO]- 227.20165 183.4
[M+Na-2H]- 189.16247 144.9
[M]+ 168.18725 143.0
[M]- 168.18835 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.