CID 536118

2,4,6-trimethyl-1-nonene

Structural Information

Molecular Formula
C12H24
SMILES
CCCC(C)CC(C)CC(=C)C
InChI
InChI=1S/C12H24/c1-6-7-11(4)9-12(5)8-10(2)3/h11-12H,2,6-9H2,1,3-5H3
InChIKey
QFMQAIUZMMQKTB-UHFFFAOYSA-N
Compound name
2,4,6-trimethylnon-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

168.1878 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.195076 145.3
[M+Na]+ 191.177018 149.7
[M-H]- 167.180524 144.9
[M+NH4]+ 186.221623 166.0
[M+K]+ 207.150958 148.7
[M+H-H2O]+ 151.185060 140.4
[M+HCOO]- 213.186001 164.3
[M+CH3COO]- 227.201651 187.2
[M+Na-2H]- 189.162466 145.5
[M]+ 168.18725142 146.2
[M]- 168.18834858 146.2
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