CID 20224941

Isohexadecene

Structural Information

Molecular Formula
C16H32
SMILES
CC(C)CCCCCCCCCCCC=C
InChI
InChI=1S/C16H32/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h4,16H,1,5-15H2,2-3H3
InChIKey
YKGRKSWSVPZYER-UHFFFAOYSA-N
Compound name
14-methylpentadec-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

507
Patents

224.2504 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.25768 163.4
[M+Na]+ 247.23962 166.6
[M-H]- 223.24312 162.0
[M+NH4]+ 242.28422 182.0
[M+K]+ 263.21356 163.7
[M+H-H2O]+ 207.24766 157.5
[M+HCOO]- 269.24860 183.1
[M+CH3COO]- 283.26425 197.6
[M+Na-2H]- 245.22507 164.0
[M]+ 224.24985 167.2
[M]- 224.25095 167.2
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