CID 5468113

Nsc664541

Structural Information

Molecular Formula
C9H9NOS
SMILES
C1/C(=N\O)/CSC2=CC=CC=C21
InChI
InChI=1S/C9H9NOS/c11-10-8-5-7-3-1-2-4-9(7)12-6-8/h1-4,11H,5-6H2/b10-8+
InChIKey
IANGBPVSWNHCGC-CSKARUKUSA-N
Compound name
(NE)-N-(4H-thiochromen-3-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.04048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04776 132.3
[M+Na]+ 202.02970 139.8
[M-H]- 178.03320 136.7
[M+NH4]+ 197.07430 153.7
[M+K]+ 218.00364 136.5
[M+H-H2O]+ 162.03774 126.7
[M+HCOO]- 224.03868 150.2
[M+CH3COO]- 238.05433 145.6
[M+Na-2H]- 200.01515 138.8
[M]+ 179.03993 130.9
[M]- 179.04103 130.9
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

No patent data available for this compound.