CID 83682056

1379253-95-8

Structural Information

Molecular Formula
C7H9NOS
SMILES
C1C(CO1)(C2=CC=CS2)N
InChI
InChI=1S/C7H9NOS/c8-7(4-9-5-7)6-2-1-3-10-6/h1-3H,4-5,8H2
InChIKey
ASWVPVPSGSVFCI-UHFFFAOYSA-N
Compound name
3-thiophen-2-yloxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.04048 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.047756 123.1
[M+Na]+ 178.029698 129.2
[M-H]- 154.033204 130.2
[M+NH4]+ 173.074303 139.7
[M+K]+ 194.003638 131.5
[M+H-H2O]+ 138.037740 113.2
[M+HCOO]- 200.038681 141.8
[M+CH3COO]- 214.054331 176.6
[M+Na-2H]- 176.015146 128.1
[M]+ 155.03993142 131.6
[M]- 155.04102858 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.