CID 550319

1-ethyl-2,3-dimethylcyclohexane

Structural Information

Molecular Formula
C10H20
SMILES
CCC1CCCC(C1C)C
InChI
InChI=1S/C10H20/c1-4-10-7-5-6-8(2)9(10)3/h8-10H,4-7H2,1-3H3
InChIKey
VJIJHYHFBLLMQS-UHFFFAOYSA-N
Compound name
1-ethyl-2,3-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

140.1565 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.16378 132.6
[M+Na]+ 163.14572 138.4
[M-H]- 139.14922 135.8
[M+NH4]+ 158.19032 154.8
[M+K]+ 179.11966 137.2
[M+H-H2O]+ 123.15376 127.7
[M+HCOO]- 185.15470 152.5
[M+CH3COO]- 199.17035 177.8
[M+Na-2H]- 161.13117 136.1
[M]+ 140.15595 129.4
[M]- 140.15705 129.4
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