CID 5324550

1-(2-thienyl)ethanone oxime

Structural Information

Molecular Formula
C6H7NOS
SMILES
C/C(=N/O)/C1=CC=CS1
InChI
InChI=1S/C6H7NOS/c1-5(7-8)6-3-2-4-9-6/h2-4,8H,1H3/b7-5-
InChIKey
HODHTVIKKXGOCP-ALCCZGGFSA-N
Compound name
(NZ)-N-(1-thiophen-2-ylethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

90
Patents

141.02484 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03212 127.3
[M+Na]+ 164.01406 135.5
[M-H]- 140.01756 131.6
[M+NH4]+ 159.05866 151.0
[M+K]+ 179.98800 134.0
[M+H-H2O]+ 124.02210 122.0
[M+HCOO]- 186.02304 148.6
[M+CH3COO]- 200.03869 172.3
[M+Na-2H]- 161.99951 130.5
[M]+ 141.02429 128.4
[M]- 141.02539 128.4
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