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]+ 254.084546 155.8
[M+Na]+ 276.066488 162.4
[M-H]- 252.069994 162.6
[M+NH4]+ 271.111093 175.1
[M+K]+ 292.040428 161.0
[M+H-H2O]+ 236.074530 150.2
[M+HCOO]- 298.075471 173.1
[M+CH3COO]- 312.091121 190.8
[M+Na-2H]- 274.051936 157.7
[M]+ 253.07672142 157.0
[M]- 253.07781858 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.