CID 136435

9-heptadecanol

Structural Information

Molecular Formula
C17H36O
SMILES
CCCCCCCCC(CCCCCCCC)O
InChI
InChI=1S/C17H36O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChIKey
WTWWTKPAEZQYPW-UHFFFAOYSA-N
Compound name
heptadecan-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

807
Patents

256.2766 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.28388 173.6
[M+Na]+ 279.26582 175.6
[M-H]- 255.26932 170.4
[M+NH4]+ 274.31042 190.1
[M+K]+ 295.23976 172.5
[M+H-H2O]+ 239.27386 167.4
[M+HCOO]- 301.27480 191.4
[M+CH3COO]- 315.29045 200.5
[M+Na-2H]- 277.25127 172.9
[M]+ 256.27605 177.9
[M]- 256.27715 177.9
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