CID 2804470

1-[(thiophen-2-yl)methyl]-1h-pyrrole

Structural Information

Molecular Formula
C9H9NS
SMILES
C1=CN(C=C1)CC2=CC=CS2
InChI
InChI=1S/C9H9NS/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2
InChIKey
DRZFDGBYLWYHMU-UHFFFAOYSA-N
Compound name
1-(thiophen-2-ylmethyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

163.04558 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.052856 131.9
[M+Na]+ 186.034798 142.9
[M-H]- 162.038304 138.8
[M+NH4]+ 181.079403 155.8
[M+K]+ 202.008738 140.2
[M+H-H2O]+ 146.042840 126.0
[M+HCOO]- 208.043781 154.9
[M+CH3COO]- 222.059431 147.4
[M+Na-2H]- 184.020246 134.9
[M]+ 163.04503142 135.6
[M]- 163.04612858 135.6
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