CID 6509737

N-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylidene)hydroxylamine

Structural Information

Molecular Formula
C8H9NOS
SMILES
C1CC2=C(C=CS2)/C(=N\O)/C1
InChI
InChI=1S/C8H9NOS/c10-9-7-2-1-3-8-6(7)4-5-11-8/h4-5,10H,1-3H2/b9-7-
InChIKey
JMHKHQOLEYGCNT-CLFYSBASSA-N
Compound name
(NZ)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

167.04048 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04776 131.5
[M+Na]+ 190.02970 139.6
[M-H]- 166.03320 136.2
[M+NH4]+ 185.07430 155.4
[M+K]+ 206.00364 136.8
[M+H-H2O]+ 150.03774 126.6
[M+HCOO]- 212.03868 150.5
[M+CH3COO]- 226.05433 145.4
[M+Na-2H]- 188.01515 135.8
[M]+ 167.03993 130.6
[M]- 167.04103 130.6
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