CID 136847

Naphthalen-1-ylmethanethiol

Structural Information

Molecular Formula
C11H10S
SMILES
C1=CC=C2C(=C1)C=CC=C2CS
InChI
InChI=1S/C11H10S/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2
InChIKey
XMFGKICZZHDQGH-UHFFFAOYSA-N
Compound name
naphthalen-1-ylmethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

750
Patents

174.05032 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05760 133.0
[M+Na]+ 197.03954 148.5
[M+NH4]+ 192.08414 144.7
[M+K]+ 213.01348 137.6
[M-H]- 173.04304 138.0
[M+Na-2H]- 195.02499 142.0
[M]+ 174.04977 137.4
[M]- 174.05087 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe