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]+ 180.08415 132.2
[M+Na]+ 202.06609 137.3
[M-H]- 178.06959 138.0
[M+NH4]+ 197.11069 145.6
[M+K]+ 218.04003 137.1
[M+H-H2O]+ 162.07413 119.9
[M+HCOO]- 224.07507 149.6
[M+CH3COO]- 238.09072 184.9
[M+Na-2H]- 200.05154 135.0
[M]+ 179.07632 138.9
[M]- 179.07742 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.