CID 71755556

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

Structural Information

Molecular Formula
C10H15NOS
SMILES
C1CC(NC1)CC(C2=CC=CS2)O
InChI
InChI=1S/C10H15NOS/c12-9(10-4-2-6-13-10)7-8-3-1-5-11-8/h2,4,6,8-9,11-12H,1,3,5,7H2
InChIKey
YPDAPHZLNYDPBN-UHFFFAOYSA-N
Compound name
2-pyrrolidin-2-yl-1-thiophen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.08743 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09471 145.7
[M+Na]+ 220.07665 151.5
[M-H]- 196.08015 148.4
[M+NH4]+ 215.12125 166.2
[M+K]+ 236.05059 148.4
[M+H-H2O]+ 180.08469 139.9
[M+HCOO]- 242.08563 160.1
[M+CH3COO]- 256.10128 157.2
[M+Na-2H]- 218.06210 143.6
[M]+ 197.08688 142.5
[M]- 197.08798 142.5
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.