CID 94277

1,2,3,4-tetramethylcyclohexane

Structural Information

Molecular Formula
C10H20
SMILES
CC1CCC(C(C1C)C)C
InChI
InChI=1S/C10H20/c1-7-5-6-8(2)10(4)9(7)3/h7-10H,5-6H2,1-4H3
InChIKey
OOQVBBNTNKHXSN-UHFFFAOYSA-N
Compound name
1,2,3,4-tetramethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

140.1565 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.163776 131.6
[M+Na]+ 163.145718 138.4
[M-H]- 139.149224 135.2
[M+NH4]+ 158.190323 154.2
[M+K]+ 179.119658 137.2
[M+H-H2O]+ 123.153760 127.1
[M+HCOO]- 185.154701 151.5
[M+CH3COO]- 199.170351 179.0
[M+Na-2H]- 161.131166 134.5
[M]+ 140.15595142 128.8
[M]- 140.15704858 128.8
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