CID 346286

1-phenylethyl formate

Structural Information

Molecular Formula
C9H10O2
SMILES
CC(C1=CC=CC=C1)OC=O
InChI
InChI=1S/C9H10O2/c1-8(11-7-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
RUDZCBJWUDOPTP-UHFFFAOYSA-N
Compound name
1-phenylethyl formate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

2349
Patents

150.06808 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 129.2
[M+Na]+ 173.05730 136.7
[M-H]- 149.06080 132.9
[M+NH4]+ 168.10190 150.3
[M+K]+ 189.03124 135.7
[M+H-H2O]+ 133.06534 123.6
[M+HCOO]- 195.06628 153.5
[M+CH3COO]- 209.08193 175.3
[M+Na-2H]- 171.04275 136.3
[M]+ 150.06753 130.7
[M]- 150.06863 130.7
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

patents stripe