CID 9964277

132335-44-5

Structural Information

Molecular Formula
C9H15NOS
SMILES
CN(C)CC[C@@H](C1=CC=CS1)O
InChI
InChI=1S/C9H15NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-4,7-8,11H,5-6H2,1-2H3/t8-/m0/s1
InChIKey
XWCNSHMHUZCRLN-QMMMGPOBSA-N
Compound name
(1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

480
Patents

185.08743 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.094706 142.2
[M+Na]+ 208.076648 148.4
[M-H]- 184.080154 145.9
[M+NH4]+ 203.121253 164.0
[M+K]+ 224.050588 147.2
[M+H-H2O]+ 168.084690 136.3
[M+HCOO]- 230.085631 161.3
[M+CH3COO]- 244.101281 183.8
[M+Na-2H]- 206.062096 142.7
[M]+ 185.08688142 144.5
[M]- 185.08797858 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe