CID 9575341

2-(2-aza-2-imidazolylvinyl)thiophene

Structural Information

Molecular Formula
C8H7N3S
SMILES
C1=CSC(=C1)/C=N/N2C=CN=C2
InChI
InChI=1S/C8H7N3S/c1-2-8(12-5-1)6-10-11-4-3-9-7-11/h1-7H/b10-6+
InChIKey
IMGXIHFXXRLZGB-UXBLZVDNSA-N
Compound name
(E)-N-imidazol-1-yl-1-thiophen-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

177.03607 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04335 133.8
[M+Na]+ 200.02529 145.1
[M-H]- 176.02879 140.8
[M+NH4]+ 195.06989 156.1
[M+K]+ 215.99923 142.6
[M+H-H2O]+ 160.03333 126.4
[M+HCOO]- 222.03427 158.5
[M+CH3COO]- 236.04992 149.1
[M+Na-2H]- 198.01074 138.1
[M]+ 177.03552 137.9
[M]- 177.03662 137.9
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

No patent data available for this compound.