CID 56935893

4-methylhexadecan-7-ol

Structural Information

Molecular Formula
C17H36O
SMILES
CCCCCCCCCC(CCC(C)CCC)O
InChI
InChI=1S/C17H36O/c1-4-6-7-8-9-10-11-13-17(18)15-14-16(3)12-5-2/h16-18H,4-15H2,1-3H3
InChIKey
OHRJXSIOKJTNKF-UHFFFAOYSA-N
Compound name
4-methylhexadecan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

256.2766 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.28388 174.2
[M+Na]+ 279.26582 176.0
[M-H]- 255.26932 171.2
[M+NH4]+ 274.31042 190.7
[M+K]+ 295.23976 173.4
[M+H-H2O]+ 239.27386 168.1
[M+HCOO]- 301.27480 191.1
[M+CH3COO]- 315.29045 201.3
[M+Na-2H]- 277.25127 172.3
[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