CID 12398

Heptadecane

Structural Information

Molecular Formula
C17H36
SMILES
CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKey
NDJKXXJCMXVBJW-UHFFFAOYSA-N
Compound name
heptadecane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

106
References

75738
Patents

240.28171 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.288986 168.9
[M+Na]+ 263.270928 171.6
[M-H]- 239.274434 167.2
[M+NH4]+ 258.315533 186.9
[M+K]+ 279.244868 168.6
[M+H-H2O]+ 223.278970 162.6
[M+HCOO]- 285.279911 189.1
[M+CH3COO]- 299.295561 200.8
[M+Na-2H]- 261.256376 170.1
[M]+ 240.28116142 174.4
[M]- 240.28225858 174.4
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