CID 37271

35822-51-6

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC1(OCC(O1)COC(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO4/c1-12(9-5-3-2-4-6-9)16-8-10(17-12)7-15-11(13)14/h2-6,10H,7-8H2,1H3,(H2,13,14)
InChIKey
JZCNNUWEAQYMDW-UHFFFAOYSA-N
Compound name
(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 151.9
[M+Na]+ 260.089328 158.2
[M-H]- 236.092834 159.4
[M+NH4]+ 255.133933 169.8
[M+K]+ 276.063268 159.1
[M+H-H2O]+ 220.097370 146.0
[M+HCOO]- 282.098311 173.4
[M+CH3COO]- 296.113961 189.5
[M+Na-2H]- 258.074776 157.1
[M]+ 237.09956142 152.8
[M]- 237.10065858 152.8
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

No patent data available for this compound.