CID 53621490

2408975-53-9

Structural Information

Molecular Formula
C12H10N2S
SMILES
C1=CC(=CC(=C1)C2=CC=C(S2)C#N)CN
InChI
InChI=1S/C12H10N2S/c13-7-9-2-1-3-10(6-9)12-5-4-11(8-14)15-12/h1-6H,7,13H2
InChIKey
NCKUJEKNJAMMGL-UHFFFAOYSA-N
Compound name
5-[3-(aminomethyl)phenyl]thiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.05647 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06375 144.5
[M+Na]+ 237.04569 156.5
[M+NH4]+ 232.09029 150.7
[M+K]+ 253.01963 146.1
[M-H]- 213.04919 142.0
[M+Na-2H]- 235.03114 149.8
[M]+ 214.05592 145.1
[M]- 214.05702 145.1
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.