CID 100818

2-nitrothiophen-3-amine

Structural Information

Molecular Formula
C4H4N2O2S
SMILES
C1=CSC(=C1N)[N+](=O)[O-]
InChI
InChI=1S/C4H4N2O2S/c5-3-1-2-9-4(3)6(7)8/h1-2H,5H2
InChIKey
GADHYUUHHGADGT-UHFFFAOYSA-N
Compound name
2-nitrothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

143.99934 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.00662 123.2
[M+Na]+ 166.98856 131.5
[M-H]- 142.99206 127.2
[M+NH4]+ 162.03316 145.6
[M+K]+ 182.96250 125.7
[M+H-H2O]+ 126.99660 122.5
[M+HCOO]- 188.99754 146.1
[M+CH3COO]- 203.01319 166.5
[M+Na-2H]- 164.97401 128.3
[M]+ 143.99879 121.1
[M]- 143.99989 121.1
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