CID 519267

2-methyldodec-1-ene

Structural Information

Molecular Formula
C13H26
SMILES
CCCCCCCCCCC(=C)C
InChI
InChI=1S/C13H26/c1-4-5-6-7-8-9-10-11-12-13(2)3/h2,4-12H2,1,3H3
InChIKey
PWRBDKMPAZFCSV-UHFFFAOYSA-N
Compound name
2-methyldodec-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

175
Patents

182.20345 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.210726 149.6
[M+Na]+ 205.192668 154.1
[M-H]- 181.196174 148.8
[M+NH4]+ 200.237273 169.9
[M+K]+ 221.166608 152.0
[M+H-H2O]+ 165.200710 144.4
[M+HCOO]- 227.201651 170.4
[M+CH3COO]- 241.217301 188.5
[M+Na-2H]- 203.178116 151.8
[M]+ 182.20290142 152.3
[M]- 182.20399858 152.3
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