CID 37285

Brn 2278257

Structural Information

Molecular Formula
C14H21NO2S
SMILES
CC1=CC=C(C=C1)SCC(=O)OC(C)CN(C)C
InChI
InChI=1S/C14H21NO2S/c1-11-5-7-13(8-6-11)18-10-14(16)17-12(2)9-15(3)4/h5-8,12H,9-10H2,1-4H3
InChIKey
AXMZSRADCXGESH-UHFFFAOYSA-N
Compound name
1-(dimethylamino)propan-2-yl 2-(4-methylphenyl)sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1293 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13658 162.7
[M+Na]+ 290.11852 172.7
[M+NH4]+ 285.16312 170.5
[M+K]+ 306.09246 165.2
[M-H]- 266.12202 165.0
[M+Na-2H]- 288.10397 167.5
[M]+ 267.12875 165.2
[M]- 267.12985 165.2
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.