CID 348939

3357-45-7

Structural Information

Molecular Formula
C13H17NO3
SMILES
C1CCOC(C1)COC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H17NO3/c15-13(14-11-6-2-1-3-7-11)17-10-12-8-4-5-9-16-12/h1-3,6-7,12H,4-5,8-10H2,(H,14,15)
InChIKey
RJRVQXYDLDHNDL-UHFFFAOYSA-N
Compound name
oxan-2-ylmethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 153.0
[M+Na]+ 258.11007 156.1
[M-H]- 234.11357 159.1
[M+NH4]+ 253.15467 168.3
[M+K]+ 274.08401 155.5
[M+H-H2O]+ 218.11811 145.1
[M+HCOO]- 280.11905 173.4
[M+CH3COO]- 294.13470 189.8
[M+Na-2H]- 256.09552 158.6
[M]+ 235.12030 150.1
[M]- 235.12140 150.1
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.