CID 74929537

Benzyl n-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate

Structural Information

Molecular Formula
C14H17NO4
SMILES
CC1(CC(C(=O)O1)NC(=O)OCC2=CC=CC=C2)C
InChI
InChI=1S/C14H17NO4/c1-14(2)8-11(12(16)19-14)15-13(17)18-9-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,15,17)
InChIKey
KWNDZSJEZBTGAF-UHFFFAOYSA-N
Compound name
benzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11575 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.123026 158.3
[M+Na]+ 286.104968 164.9
[M-H]- 262.108474 165.8
[M+NH4]+ 281.149573 177.0
[M+K]+ 302.078908 164.3
[M+H-H2O]+ 246.113010 152.3
[M+HCOO]- 308.113951 180.9
[M+CH3COO]- 322.129601 195.6
[M+Na-2H]- 284.090416 162.1
[M]+ 263.11520142 159.9
[M]- 263.11629858 159.9
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.