CID 13839210

2-[(naphthalen-1-ylmethyl)sulfanyl]ethan-1-amine

Structural Information

Molecular Formula
C13H15NS
SMILES
C1=CC=C2C(=C1)C=CC=C2CSCCN
InChI
InChI=1S/C13H15NS/c14-8-9-15-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,14H2
InChIKey
YSIYYYWNPCHYKN-UHFFFAOYSA-N
Compound name
2-(naphthalen-1-ylmethylsulfanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

217.09251 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09979 145.8
[M+Na]+ 240.08173 159.2
[M+NH4]+ 235.12633 156.4
[M+K]+ 256.05567 148.5
[M-H]- 216.08523 150.6
[M+Na-2H]- 238.06718 153.5
[M]+ 217.09196 149.7
[M]- 217.09306 149.7
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