CID 457284

Imidazolyl(2-thienylmethyl)amine

Structural Information

Molecular Formula
C8H9N3S
SMILES
C1=CSC(=C1)CNN2C=CN=C2
InChI
InChI=1S/C8H9N3S/c1-2-8(12-5-1)6-10-11-4-3-9-7-11/h1-5,7,10H,6H2
InChIKey
OLFNZXPTAJCIQF-UHFFFAOYSA-N
Compound name
N-(thiophen-2-ylmethyl)imidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

179.05171 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05899 133.7
[M+Na]+ 202.04093 144.2
[M-H]- 178.04443 139.3
[M+NH4]+ 197.08553 155.2
[M+K]+ 218.01487 141.4
[M+H-H2O]+ 162.04897 126.5
[M+HCOO]- 224.04991 156.7
[M+CH3COO]- 238.06556 148.3
[M+Na-2H]- 200.02638 137.8
[M]+ 179.05116 136.7
[M]- 179.05226 136.7
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

No patent data available for this compound.