CID 42607323

15-methylheneicosane-1,2-diol

Structural Information

Molecular Formula
C22H46O2
SMILES
CCCCCCC(C)CCCCCCCCCCCCC(CO)O
InChI
InChI=1S/C22H46O2/c1-3-4-5-14-17-21(2)18-15-12-10-8-6-7-9-11-13-16-19-22(24)20-23/h21-24H,3-20H2,1-2H3
InChIKey
HVCZYABNQXPMMX-UHFFFAOYSA-N
Compound name
15-methylhenicosane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

342.3498 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.35708 199.9
[M+Na]+ 365.33902 199.1
[M-H]- 341.34252 194.3
[M+NH4]+ 360.38362 212.0
[M+K]+ 381.31296 194.7
[M+H-H2O]+ 325.34706 192.8
[M+HCOO]- 387.34800 213.8
[M+CH3COO]- 401.36365 215.3
[M+Na-2H]- 363.32447 194.7
[M]+ 342.34925 204.9
[M]- 342.35035 204.9
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