CID 16780775

3-[(thiophen-2-yl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula
C8H11NS
SMILES
C1C(CN1)CC2=CC=CS2
InChI
InChI=1S/C8H11NS/c1-2-8(10-3-1)4-7-5-9-6-7/h1-3,7,9H,4-6H2
InChIKey
RZYZPEIAOBGEDV-UHFFFAOYSA-N
Compound name
3-(thiophen-2-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]+ 154.06850 124.5
[M+Na]+ 176.05044 130.4
[M-H]- 152.05394 128.5
[M+NH4]+ 171.09504 139.4
[M+K]+ 192.02438 130.4
[M+H-H2O]+ 136.05848 113.3
[M+HCOO]- 198.05942 140.7
[M+CH3COO]- 212.07507 174.2
[M+Na-2H]- 174.03589 126.8
[M]+ 153.06067 131.6
[M]- 153.06177 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.