CID 37282

35858-25-4

Structural Information

Molecular Formula
C12H14ClNO4
SMILES
CC1(OCC(O1)COC(=O)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H14ClNO4/c1-12(8-2-4-9(13)5-3-8)17-7-10(18-12)6-16-11(14)15/h2-5,10H,6-7H2,1H3,(H2,14,15)
InChIKey
DDPXQCWRRXXQNQ-UHFFFAOYSA-N
Compound name
[2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.06113 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.068406 158.9
[M+Na]+ 294.050348 166.9
[M-H]- 270.053854 166.6
[M+NH4]+ 289.094953 176.6
[M+K]+ 310.024288 165.8
[M+H-H2O]+ 254.058390 154.0
[M+HCOO]- 316.059331 175.8
[M+CH3COO]- 330.074981 194.4
[M+Na-2H]- 292.035796 162.9
[M]+ 271.06058142 162.3
[M]- 271.06167858 162.3
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.