CID 537212

2-methylhexadec-7-ene

Structural Information

Molecular Formula
C17H34
SMILES
CCCCCCCCC=CCCCCC(C)C
InChI
InChI=1S/C17H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h11-12,17H,4-10,13-16H2,1-3H3
InChIKey
AOQKOJLGEWMVIG-UHFFFAOYSA-N
Compound name
2-methylhexadec-7-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

238.26605 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.273326 168.2
[M+Na]+ 261.255268 171.1
[M-H]- 237.258774 166.7
[M+NH4]+ 256.299873 186.3
[M+K]+ 277.229208 167.9
[M+H-H2O]+ 221.263310 162.1
[M+HCOO]- 283.264251 187.6
[M+CH3COO]- 297.279901 199.9
[M+Na-2H]- 259.240716 168.2
[M]+ 238.26550142 172.3
[M]- 238.26659858 172.3
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