CID 3076902

132719-64-3

Structural Information

Molecular Formula
C10H16ClNO2S
SMILES
CC(C)NCC(COC1=CSC(=C1)Cl)O
InChI
InChI=1S/C10H16ClNO2S/c1-7(2)12-4-8(13)5-14-9-3-10(11)15-6-9/h3,6-8,12-13H,4-5H2,1-2H3
InChIKey
YKROWALZNVVGSV-UHFFFAOYSA-N
Compound name
1-(5-chlorothiophen-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.05902 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06630 155.5
[M+Na]+ 272.04824 162.1
[M-H]- 248.05174 157.8
[M+NH4]+ 267.09284 175.0
[M+K]+ 288.02218 158.3
[M+H-H2O]+ 232.05628 150.7
[M+HCOO]- 294.05722 168.4
[M+CH3COO]- 308.07287 191.1
[M+Na-2H]- 270.03369 154.2
[M]+ 249.05847 159.9
[M]- 249.05957 159.9
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.