CID 15076

1-heptadecanol

Structural Information

Molecular Formula
C17H36O
SMILES
CCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C17H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3
InChIKey
GOQYKNQRPGWPLP-UHFFFAOYSA-N
Compound name
heptadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

13
References

30833
Patents

256.2766 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.283876 172.6
[M+Na]+ 279.265818 174.8
[M-H]- 255.269324 169.3
[M+NH4]+ 274.310423 189.1
[M+K]+ 295.239758 171.2
[M+H-H2O]+ 239.273860 166.3
[M+HCOO]- 301.274801 191.4
[M+CH3COO]- 315.290451 199.8
[M+Na-2H]- 277.251266 173.2
[M]+ 256.27605142 177.6
[M]- 256.27714858 177.6
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