CID 117033262

2059913-79-8

Structural Information

Molecular Formula
C10H13NS
SMILES
C1C(CC1SC2=CC=CC=C2)N
InChI
InChI=1S/C10H13NS/c11-8-6-10(7-8)12-9-4-2-1-3-5-9/h1-5,8,10H,6-7,11H2
InChIKey
SILJCMCYSJIDGV-UHFFFAOYSA-N
Compound name
3-phenylsulfanylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07687 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.084146 132.2
[M+Na]+ 202.066088 137.3
[M-H]- 178.069594 138.0
[M+NH4]+ 197.110693 145.6
[M+K]+ 218.040028 137.1
[M+H-H2O]+ 162.074130 119.9
[M+HCOO]- 224.075071 149.6
[M+CH3COO]- 238.090721 184.9
[M+Na-2H]- 200.051536 135.0
[M]+ 179.07632142 138.9
[M]- 179.07741858 138.9
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.