CID 95395

5421-00-1

Structural Information

Molecular Formula
C13H16O3
SMILES
C1CC(OC1)COC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C13H16O3/c14-13(9-11-5-2-1-3-6-11)16-10-12-7-4-8-15-12/h1-3,5-6,12H,4,7-10H2
InChIKey
WFCXNQRMOLKRMG-UHFFFAOYSA-N
Compound name
oxolan-2-ylmethyl 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

220.10994 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11722 149.7
[M+Na]+ 243.09916 154.6
[M-H]- 219.10266 156.2
[M+NH4]+ 238.14376 167.9
[M+K]+ 259.07310 154.0
[M+H-H2O]+ 203.10720 143.0
[M+HCOO]- 265.10814 171.2
[M+CH3COO]- 279.12379 185.0
[M+Na-2H]- 241.08461 153.4
[M]+ 220.10939 149.8
[M]- 220.11049 149.8
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