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

411
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 131.7
[M+Na]+ 198.03480 141.6
[M-H]- 174.03830 136.6
[M+NH4]+ 193.07940 153.7
[M+K]+ 214.00874 137.3
[M+H-H2O]+ 158.04284 126.4
[M+HCOO]- 220.04378 151.1
[M+CH3COO]- 234.05943 145.9
[M+Na-2H]- 196.02025 137.8
[M]+ 175.04503 132.3
[M]- 175.04613 132.3
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