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]+ 238.10739 151.9
[M+Na]+ 260.08933 158.2
[M-H]- 236.09283 159.4
[M+NH4]+ 255.13393 169.8
[M+K]+ 276.06327 159.1
[M+H-H2O]+ 220.09737 146.0
[M+HCOO]- 282.09831 173.4
[M+CH3COO]- 296.11396 189.5
[M+Na-2H]- 258.07478 157.1
[M]+ 237.09956 152.8
[M]- 237.10066 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.