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

4758
Patents

126.140854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.148130 128.0
[M+Na]+ 149.130072 134.2
[M-H]- 125.133578 131.4
[M+NH4]+ 144.174677 150.7
[M+K]+ 165.104012 133.2
[M+H-H2O]+ 109.138114 123.3
[M+HCOO]- 171.139055 148.2
[M+CH3COO]- 185.154705 174.8
[M+Na-2H]- 147.115520 132.0
[M]+ 126.14030542 124.3
[M]- 126.14140258 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