CID 42263

Heptadecan-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1763
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 173.6
[M+Na]+ 279.265818 175.6
[M-H]- 255.269324 170.4
[M+NH4]+ 274.310423 190.1
[M+K]+ 295.239758 172.5
[M+H-H2O]+ 239.273860 167.4
[M+HCOO]- 301.274801 191.4
[M+CH3COO]- 315.290451 200.5
[M+Na-2H]- 277.251266 172.9
[M]+ 256.27605142 177.9
[M]- 256.27714858 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