CID 2779693

Thiophene-3-carboxamidine hydrochloride

Structural Information

Molecular Formula
C5H6N2S
SMILES
C1=CSC=C1C(=N)N
InChI
InChI=1S/C5H6N2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7)
InChIKey
JKCKRNYECSTMLV-UHFFFAOYSA-N
Compound name
thiophene-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

126.02517 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03245 122.8
[M+Na]+ 149.01439 130.5
[M-H]- 125.01789 126.5
[M+NH4]+ 144.05899 146.3
[M+K]+ 164.98833 128.2
[M+H-H2O]+ 109.02243 117.2
[M+HCOO]- 171.02337 144.4
[M+CH3COO]- 185.03902 172.1
[M+Na-2H]- 146.99984 125.9
[M]+ 126.02462 120.4
[M]- 126.02572 120.4
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