CID 85919

1-thiochrome, oxime

Structural Information

Molecular Formula
C9H9NOS
SMILES
C1CSC2=CC=CC=C2C1=NO
InChI
InChI=1S/C9H9NOS/c11-10-8-5-6-12-9-4-2-1-3-7(8)9/h1-4,11H,5-6H2
InChIKey
RARVWGVWROHFMP-UHFFFAOYSA-N
Compound name
N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

179.04048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.047756 132.3
[M+Na]+ 202.029698 139.8
[M-H]- 178.033204 136.7
[M+NH4]+ 197.074303 153.7
[M+K]+ 218.003638 136.5
[M+H-H2O]+ 162.037740 126.7
[M+HCOO]- 224.038681 150.2
[M+CH3COO]- 238.054331 145.6
[M+Na-2H]- 200.015146 138.8
[M]+ 179.03993142 130.9
[M]- 179.04102858 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

literature stripe

Patent stripe

patents stripe