CID 65920876

3-(thiophen-3-yl)azetidin-3-ol hydrochloride

Structural Information

Molecular Formula
C7H9NOS
SMILES
C1C(CN1)(C2=CSC=C2)O
InChI
InChI=1S/C7H9NOS/c9-7(4-8-5-7)6-1-2-10-3-6/h1-3,8-9H,4-5H2
InChIKey
PHHXXMLTABUSFZ-UHFFFAOYSA-N
Compound name
3-thiophen-3-ylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.04048 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 126.2
[M+Na]+ 178.02970 132.5
[M-H]- 154.03320 129.1
[M+NH4]+ 173.07430 142.0
[M+K]+ 194.00364 132.3
[M+H-H2O]+ 138.03774 116.2
[M+HCOO]- 200.03868 141.3
[M+CH3COO]- 214.05433 170.2
[M+Na-2H]- 176.01515 129.7
[M]+ 155.03993 132.8
[M]- 155.04103 132.8
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.