CID 6876527

Thiophene-2-carbaldehyde oxime

Structural Information

Molecular Formula
C5H5NOS
SMILES
C1=CSC(=C1)/C=N/O
InChI
InChI=1S/C5H5NOS/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4+
InChIKey
GASLBPLHYRZLLT-GQCTYLIASA-N
Compound name
(NE)-N-(thiophen-2-ylmethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

155
Patents

127.009186 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.016462 121.9
[M+Na]+ 149.998404 130.9
[M-H]- 126.001910 126.3
[M+NH4]+ 145.043009 146.2
[M+K]+ 165.972344 129.1
[M+H-H2O]+ 110.006446 116.8
[M+HCOO]- 172.007387 144.6
[M+CH3COO]- 186.023037 168.5
[M+Na-2H]- 147.983852 126.7
[M]+ 127.00863742 123.2
[M]- 127.00973458 123.2
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