CID 3017316

3-methylcyclopentadecan-1-ol

Structural Information

Molecular Formula
C16H32O
SMILES
CC1CCCCCCCCCCCCC(C1)O
InChI
InChI=1S/C16H32O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15-17H,2-14H2,1H3
InChIKey
GVPGXFIINYYZAR-UHFFFAOYSA-N
Compound name
3-methylcyclopentadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

129
Patents

240.24532 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.252596 161.4
[M+Na]+ 263.234538 161.4
[M-H]- 239.238044 160.3
[M+NH4]+ 258.279143 174.9
[M+K]+ 279.208478 159.7
[M+H-H2O]+ 223.242580 158.6
[M+HCOO]- 285.243521 173.9
[M+CH3COO]- 299.259171 183.1
[M+Na-2H]- 261.219986 159.7
[M]+ 240.24477142 147.5
[M]- 240.24586858 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe