CID 27938

Cyclohexane, 1-methyl-3-(1-methylethyl)-

Structural Information

Molecular Formula
C10H20
SMILES
CC1CCCC(C1)C(C)C
InChI
InChI=1S/C10H20/c1-8(2)10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3
InChIKey
QRDCBPPMQOPHOU-UHFFFAOYSA-N
Compound name
1-methyl-3-propan-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1282
Patents

140.1565 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.163776 133.7
[M+Na]+ 163.145718 138.2
[M-H]- 139.149224 136.5
[M+NH4]+ 158.190323 155.4
[M+K]+ 179.119658 137.4
[M+H-H2O]+ 123.153760 128.5
[M+HCOO]- 185.154701 152.5
[M+CH3COO]- 199.170351 177.6
[M+Na-2H]- 161.131166 136.5
[M]+ 140.15595142 129.3
[M]- 140.15704858 129.3
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