CID 14433050

124869-09-6

Structural Information

Molecular Formula
C15H22O3
SMILES
CC1(CCCC23C1CC=C4C2C(OC4)OC3)CO
InChI
InChI=1S/C15H22O3/c1-14(8-16)5-2-6-15-9-18-13-12(15)10(7-17-13)3-4-11(14)15/h3,11-13,16H,2,4-9H2,1H3
InChIKey
VNQZAZXRYYZGBO-UHFFFAOYSA-N
Compound name
(5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.164166 156.0
[M+Na]+ 273.146108 162.0
[M-H]- 249.149614 161.1
[M+NH4]+ 268.190713 180.1
[M+K]+ 289.120048 160.2
[M+H-H2O]+ 233.154150 151.7
[M+HCOO]- 295.155091 168.2
[M+CH3COO]- 309.170741 167.5
[M+Na-2H]- 271.131556 160.3
[M]+ 250.15634142 154.1
[M]- 250.15743858 154.1
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

No patent data available for this compound.