CID 82596018

2241141-54-6

Structural Information

Molecular Formula
C8H15NS
SMILES
C1CSCCC1C2(CC2)N
InChI
InChI=1S/C8H15NS/c9-8(3-4-8)7-1-5-10-6-2-7/h7H,1-6,9H2
InChIKey
VTHFHXGELSNLPV-UHFFFAOYSA-N
Compound name
1-(thian-4-yl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.09251 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.099786 127.9
[M+Na]+ 180.081728 134.5
[M-H]- 156.085234 134.3
[M+NH4]+ 175.126333 145.5
[M+K]+ 196.055668 132.9
[M+H-H2O]+ 140.089770 122.5
[M+HCOO]- 202.090711 144.0
[M+CH3COO]- 216.106361 140.4
[M+Na-2H]- 178.067176 132.1
[M]+ 157.09196142 125.5
[M]- 157.09305858 125.5
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.