CID 23217

1-heptadecene

Structural Information

Molecular Formula
C17H34
SMILES
CCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3
InChIKey
ADOBXTDBFNCOBN-UHFFFAOYSA-N
Compound name
heptadec-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

22953
Patents

238.26605 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.27333 167.2
[M+Na]+ 261.25527 170.1
[M-H]- 237.25877 165.5
[M+NH4]+ 256.29987 185.2
[M+K]+ 277.22921 166.5
[M+H-H2O]+ 221.26331 161.0
[M+HCOO]- 283.26425 187.5
[M+CH3COO]- 297.27990 199.9
[M+Na-2H]- 259.24072 168.4
[M]+ 238.26550 172.0
[M]- 238.26660 172.0
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