CID 14613836

2-(benzylsulfanyl)propan-1-amine

Structural Information

Molecular Formula
C10H15NS
SMILES
CC(CN)SCC1=CC=CC=C1
InChI
InChI=1S/C10H15NS/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKey
OXAHKDSMEQAHBZ-UHFFFAOYSA-N
Compound name
2-benzylsulfanylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

181.09251 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09979 139.2
[M+Na]+ 204.08173 145.3
[M-H]- 180.08523 142.1
[M+NH4]+ 199.12633 159.1
[M+K]+ 220.05567 142.1
[M+H-H2O]+ 164.08977 133.0
[M+HCOO]- 226.09071 157.4
[M+CH3COO]- 240.10636 183.2
[M+Na-2H]- 202.06718 141.7
[M]+ 181.09196 139.2
[M]- 181.09306 139.2
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

patents stripe