CID 137951568

2173996-58-0

Structural Information

Molecular Formula
C14H18O3
SMILES
C1C2(CC1(OC2)CO)COCC3=CC=CC=C3
InChI
InChI=1S/C14H18O3/c15-9-14-7-13(8-14,11-17-14)10-16-6-12-4-2-1-3-5-12/h1-5,15H,6-11H2
InChIKey
NYTPPMYKYKZOEF-UHFFFAOYSA-N
Compound name
[4-(phenylmethoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1256 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 154.2
[M+Na]+ 257.11482 159.9
[M-H]- 233.11832 157.9
[M+NH4]+ 252.15942 174.4
[M+K]+ 273.08876 160.4
[M+H-H2O]+ 217.12286 146.9
[M+HCOO]- 279.12380 170.8
[M+CH3COO]- 293.13945 166.0
[M+Na-2H]- 255.10027 163.0
[M]+ 234.12505 169.1
[M]- 234.12615 169.1
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

No patent data available for this compound.