CID 13548088

2-amino-4-hydroxythiophene-3-carbonitrile

Structural Information

Molecular Formula
C5H4N2OS
SMILES
C1=C(C(=C(S1)N)C#N)O
InChI
InChI=1S/C5H4N2OS/c6-1-3-4(8)2-9-5(3)7/h2,8H,7H2
InChIKey
BBSSHLOVHLENAE-UHFFFAOYSA-N
Compound name
2-amino-4-hydroxythiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

140.00444 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.011716 131.5
[M+Na]+ 162.993658 143.3
[M-H]- 138.997164 134.8
[M+NH4]+ 158.038263 152.5
[M+K]+ 178.967598 140.6
[M+H-H2O]+ 123.001700 120.3
[M+HCOO]- 185.002641 148.3
[M+CH3COO]- 199.018291 183.7
[M+Na-2H]- 160.979106 133.4
[M]+ 140.00389142 126.6
[M]- 140.00498858 126.6
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