CID 37282

Brn 1291754

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]+ 272.06841 158.9
[M+Na]+ 294.05035 166.9
[M-H]- 270.05385 166.6
[M+NH4]+ 289.09495 176.6
[M+K]+ 310.02429 165.8
[M+H-H2O]+ 254.05839 154.0
[M+HCOO]- 316.05933 175.8
[M+CH3COO]- 330.07498 194.4
[M+Na-2H]- 292.03580 162.9
[M]+ 271.06058 162.3
[M]- 271.06168 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.