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]+ 158.09979 127.9
[M+Na]+ 180.08173 134.5
[M-H]- 156.08523 134.3
[M+NH4]+ 175.12633 145.5
[M+K]+ 196.05567 132.9
[M+H-H2O]+ 140.08977 122.5
[M+HCOO]- 202.09071 144.0
[M+CH3COO]- 216.10636 140.4
[M+Na-2H]- 178.06718 132.1
[M]+ 157.09196 125.5
[M]- 157.09306 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.