CID 53621490

5-[3-(aminomethyl)phenyl]thiophene-2-carbonitrile hydrochloride

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 154.7
[M+Na]+ 237.04569 166.4
[M-H]- 213.04919 161.0
[M+NH4]+ 232.09029 173.5
[M+K]+ 253.01963 160.5
[M+H-H2O]+ 197.05373 141.9
[M+HCOO]- 259.05467 172.1
[M+CH3COO]- 273.07032 166.5
[M+Na-2H]- 235.03114 155.7
[M]+ 214.05592 150.3
[M]- 214.05702 150.3
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.