CID 15507

1,2,3-trimethylcyclohexane

Structural Information

Molecular Formula
C9H18
SMILES
CC1CCCC(C1C)C
InChI
InChI=1S/C9H18/c1-7-5-4-6-8(2)9(7)3/h7-9H,4-6H2,1-3H3
InChIKey
DQTVJLHNWPRPPH-UHFFFAOYSA-N
Compound name
1,2,3-trimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1213
Patents

126.140854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.14813 128.0
[M+Na]+ 149.13007 134.2
[M-H]- 125.13358 131.4
[M+NH4]+ 144.17468 150.7
[M+K]+ 165.10401 133.2
[M+H-H2O]+ 109.13811 123.3
[M+HCOO]- 171.13906 148.2
[M+CH3COO]- 185.15470 174.8
[M+Na-2H]- 147.11552 132.0
[M]+ 126.14031 124.3
[M]- 126.14140 124.3
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