CID 60664520

1251238-49-9

Structural Information

Molecular Formula
C10H13N3S
SMILES
C1=CSC=C1CNCCN2C=CN=C2
InChI
InChI=1S/C10H13N3S/c1-6-14-8-10(1)7-11-2-4-13-5-3-12-9-13/h1,3,5-6,8-9,11H,2,4,7H2
InChIKey
IUWNGAYDHMHWNG-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-N-(thiophen-3-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08302 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09030 142.5
[M+Na]+ 230.07224 152.0
[M-H]- 206.07574 147.6
[M+NH4]+ 225.11684 162.8
[M+K]+ 246.04618 148.7
[M+H-H2O]+ 190.08028 134.9
[M+HCOO]- 252.08122 164.8
[M+CH3COO]- 266.09687 156.2
[M+Na-2H]- 228.05769 145.6
[M]+ 207.08247 146.2
[M]- 207.08357 146.2
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

No patent data available for this compound.