CID 212626

24606-90-4

Structural Information

Molecular Formula
C12H15NO3S
SMILES
CC1(OC(CS1)COC(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO3S/c1-12(9-5-3-2-4-6-9)16-10(8-17-12)7-15-11(13)14/h2-6,10H,7-8H2,1H3,(H2,13,14)
InChIKey
LXDBZXKZNYQYON-UHFFFAOYSA-N
Compound name
(2-methyl-2-phenyl-1,3-oxathiolan-5-yl)methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.07727 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08455 155.8
[M+Na]+ 276.06649 162.4
[M-H]- 252.06999 162.6
[M+NH4]+ 271.11109 175.1
[M+K]+ 292.04043 161.0
[M+H-H2O]+ 236.07453 150.2
[M+HCOO]- 298.07547 173.1
[M+CH3COO]- 312.09112 190.8
[M+Na-2H]- 274.05194 157.7
[M]+ 253.07672 157.0
[M]- 253.07782 157.0
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.