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

1
Patents

233.08743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09471 151.8
[M+Na]+ 256.07665 157.8
[M-H]- 232.08015 157.1
[M+NH4]+ 251.12125 170.7
[M+K]+ 272.05059 153.4
[M+H-H2O]+ 216.08469 145.2
[M+HCOO]- 278.08563 171.0
[M+CH3COO]- 292.10128 187.8
[M+Na-2H]- 254.06210 153.8
[M]+ 233.08688 152.0
[M]- 233.08798 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