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]+ 198.094706 145.7
[M+Na]+ 220.076648 151.5
[M-H]- 196.080154 148.4
[M+NH4]+ 215.121253 166.2
[M+K]+ 236.050588 148.4
[M+H-H2O]+ 180.084690 139.9
[M+HCOO]- 242.085631 160.1
[M+CH3COO]- 256.101281 157.2
[M+Na-2H]- 218.062096 143.6
[M]+ 197.08688142 142.5
[M]- 197.08797858 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.