CID 21085

3,7-dimethyl-1-octene

Structural Information

Molecular Formula
C10H20
SMILES
CC(C)CCCC(C)C=C
InChI
InChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h5,9-10H,1,6-8H2,2-4H3
InChIKey
KSXTZYRIJKDCEA-UHFFFAOYSA-N
Compound name
3,7-dimethyloct-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

490
Patents

140.1565 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.16378 135.9
[M+Na]+ 163.14572 141.4
[M-H]- 139.14922 135.8
[M+NH4]+ 158.19032 157.8
[M+K]+ 179.11966 140.5
[M+H-H2O]+ 123.15376 131.3
[M+HCOO]- 185.15470 156.6
[M+CH3COO]- 199.17035 180.3
[M+Na-2H]- 161.13117 138.5
[M]+ 140.15595 136.7
[M]- 140.15705 136.7
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