CID 10922435

2-(benzylamino)-1-(thiophen-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C13H15NOS
SMILES
C1=CC=C(C=C1)CNCC(C2=CC=CS2)O
InChI
InChI=1S/C13H15NOS/c15-12(13-7-4-8-16-13)10-14-9-11-5-2-1-3-6-11/h1-8,12,14-15H,9-10H2
InChIKey
NBWPQIFSGTYSCZ-UHFFFAOYSA-N
Compound name
2-(benzylamino)-1-thiophen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.094706 151.8
[M+Na]+ 256.076648 157.8
[M-H]- 232.080154 157.1
[M+NH4]+ 251.121253 170.7
[M+K]+ 272.050588 153.4
[M+H-H2O]+ 216.084690 145.2
[M+HCOO]- 278.085631 171.0
[M+CH3COO]- 292.101281 187.8
[M+Na-2H]- 254.062096 153.8
[M]+ 233.08688142 152.0
[M]- 233.08797858 152.0
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

patents stripe