CID 113314

1-amino-2-naphthalenethiol

Structural Information

Molecular Formula
C10H9NS
SMILES
C1=CC=C2C(=C1)C=CC(=C2N)S
InChI
InChI=1S/C10H9NS/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H,11H2
InChIKey
VPSMSRGGNXFQIO-UHFFFAOYSA-N
Compound name
1-aminonaphthalene-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

397
Patents

175.04558 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05286 132.5
[M+Na]+ 198.03480 147.0
[M+NH4]+ 193.07940 143.7
[M+K]+ 214.00874 137.1
[M-H]- 174.03830 137.5
[M+Na-2H]- 196.02025 140.8
[M]+ 175.04503 136.7
[M]- 175.04613 136.7
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