CID 65920876

2413877-64-0

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]+ 156.047756 126.2
[M+Na]+ 178.029698 132.5
[M-H]- 154.033204 129.1
[M+NH4]+ 173.074303 142.0
[M+K]+ 194.003638 132.3
[M+H-H2O]+ 138.037740 116.2
[M+HCOO]- 200.038681 141.3
[M+CH3COO]- 214.054331 170.2
[M+Na-2H]- 176.015146 129.7
[M]+ 155.03993142 132.8
[M]- 155.04102858 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.