CID 138178

1-methyl-3-propylcyclohexane

Structural Information

Molecular Formula
C10H20
SMILES
CCCC1CCCC(C1)C
InChI
InChI=1S/C10H20/c1-3-5-10-7-4-6-9(2)8-10/h9-10H,3-8H2,1-2H3
InChIKey
HFHJBWYDQAWSIA-UHFFFAOYSA-N
Compound name
1-methyl-3-propylcyclohexane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

210
Patents

140.1565 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.16378 133.5
[M+Na]+ 163.14572 138.3
[M-H]- 139.14922 136.3
[M+NH4]+ 158.19032 155.4
[M+K]+ 179.11966 137.1
[M+H-H2O]+ 123.15376 128.3
[M+HCOO]- 185.15470 153.4
[M+CH3COO]- 199.17035 176.7
[M+Na-2H]- 161.13117 137.6
[M]+ 140.15595 129.8
[M]- 140.15705 129.8
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