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]+ 156.04776 123.1
[M+Na]+ 178.02970 129.2
[M-H]- 154.03320 130.2
[M+NH4]+ 173.07430 139.7
[M+K]+ 194.00364 131.5
[M+H-H2O]+ 138.03774 113.2
[M+HCOO]- 200.03868 141.8
[M+CH3COO]- 214.05433 176.6
[M+Na-2H]- 176.01515 128.1
[M]+ 155.03993 131.6
[M]- 155.04103 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.