CID 3428135

13183-61-4

Structural Information

Molecular Formula
C12H12S
SMILES
CSCC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C12H12S/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3
InChIKey
CJDCACAMTBETRY-UHFFFAOYSA-N
Compound name
2-(methylsulfanylmethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

188.06598 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07326 136.6
[M+Na]+ 211.05520 145.6
[M-H]- 187.05870 141.5
[M+NH4]+ 206.09980 158.4
[M+K]+ 227.02914 141.5
[M+H-H2O]+ 171.06324 131.0
[M+HCOO]- 233.06418 155.1
[M+CH3COO]- 247.07983 150.5
[M+Na-2H]- 209.04065 142.8
[M]+ 188.06543 139.1
[M]- 188.06653 139.1
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