CID 16227924

3-[(thiophen-3-yl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula
C8H11NS
SMILES
C1C(CN1)CC2=CSC=C2
InChI
InChI=1S/C8H11NS/c1-2-10-6-7(1)3-8-4-9-5-8/h1-2,6,8-9H,3-5H2
InChIKey
VRHSHLHENJHJKY-UHFFFAOYSA-N
Compound name
3-(thiophen-3-ylmethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.06122 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.068496 124.5
[M+Na]+ 176.050438 130.4
[M-H]- 152.053944 128.5
[M+NH4]+ 171.095043 139.4
[M+K]+ 192.024378 130.4
[M+H-H2O]+ 136.058480 113.3
[M+HCOO]- 198.059421 140.7
[M+CH3COO]- 212.075071 174.2
[M+Na-2H]- 174.035886 126.8
[M]+ 153.06067142 131.6
[M]- 153.06176858 131.6
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.