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
1
Annotation Hits

4
References

85
Patents

127.009186 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.01646 121.9
[M+Na]+ 149.99840 130.9
[M-H]- 126.00191 126.3
[M+NH4]+ 145.04301 146.2
[M+K]+ 165.97234 129.1
[M+H-H2O]+ 110.00645 116.8
[M+HCOO]- 172.00739 144.6
[M+CH3COO]- 186.02304 168.5
[M+Na-2H]- 147.98385 126.7
[M]+ 127.00864 123.2
[M]- 127.00973 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