CID 142131

3,4-octadiene, 7-methyl-

Structural Information

Molecular Formula
C9H16
SMILES
CCC=C=CCC(C)C
InChI
InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h5,7,9H,4,8H2,1-3H3
InChIKey
GOFRIZQMGVLGIN-UHFFFAOYSA-N
Compound name
7-methylocta-3,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

124.1252 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.132476 129.6
[M+Na]+ 147.114418 136.2
[M-H]- 123.117924 129.8
[M+NH4]+ 142.159023 152.3
[M+K]+ 163.088358 134.7
[M+H-H2O]+ 107.122460 125.4
[M+HCOO]- 169.123401 151.9
[M+CH3COO]- 183.139051 174.1
[M+Na-2H]- 145.099866 134.2
[M]+ 124.12465142 129.9
[M]- 124.12574858 129.9
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