CID 197862

6988-20-1

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC1COC(O1)C2=CC=CC=C2OC(=O)NC
InChI
InChI=1S/C12H15NO4/c1-8-7-15-11(16-8)9-5-3-4-6-10(9)17-12(14)13-2/h3-6,8,11H,7H2,1-2H3,(H,13,14)
InChIKey
XXIJPDVJRAQVSH-UHFFFAOYSA-N
Compound name
[2-(4-methyl-1,3-dioxolan-2-yl)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

237.10011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 152.6
[M+Na]+ 260.08933 159.0
[M-H]- 236.09283 160.7
[M+NH4]+ 255.13393 169.1
[M+K]+ 276.06327 159.9
[M+H-H2O]+ 220.09737 146.2
[M+HCOO]- 282.09831 174.7
[M+CH3COO]- 296.11396 191.1
[M+Na-2H]- 258.07478 156.9
[M]+ 237.09956 154.5
[M]- 237.10066 154.5
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