CID 3288235

6449-64-5

Structural Information

Molecular Formula
C6H8N2S
SMILES
C1=CSC(=C1)CC(=N)N
InChI
InChI=1S/C6H8N2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H3,7,8)
InChIKey
FGEMXCIELABZBO-UHFFFAOYSA-N
Compound name
2-thiophen-2-ylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

140.04082 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.048096 127.3
[M+Na]+ 163.030038 134.5
[M-H]- 139.033544 130.8
[M+NH4]+ 158.074643 150.2
[M+K]+ 179.003978 132.0
[M+H-H2O]+ 123.038080 121.5
[M+HCOO]- 185.039021 148.5
[M+CH3COO]- 199.054671 175.2
[M+Na-2H]- 161.015486 129.8
[M]+ 140.04027142 125.2
[M]- 140.04136858 125.2
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