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

127
Patents

240.24532 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.25260 161.4
[M+Na]+ 263.23454 161.4
[M-H]- 239.23804 160.3
[M+NH4]+ 258.27914 174.9
[M+K]+ 279.20848 159.7
[M+H-H2O]+ 223.24258 158.6
[M+HCOO]- 285.24352 173.9
[M+CH3COO]- 299.25917 183.1
[M+Na-2H]- 261.21999 159.7
[M]+ 240.24477 147.5
[M]- 240.24587 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