CID 4720495

880812-31-7

Structural Information

Molecular Formula
C12H14N2S
SMILES
CC1=C(SC=C1)CNCC2=CC=CC=N2
InChI
InChI=1S/C12H14N2S/c1-10-5-7-15-12(10)9-13-8-11-4-2-3-6-14-11/h2-7,13H,8-9H2,1H3
InChIKey
OHMXZQHFVOIBPX-UHFFFAOYSA-N
Compound name
N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.08777 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09505 147.7
[M+Na]+ 241.07699 160.4
[M+NH4]+ 236.12159 157.4
[M+K]+ 257.05093 152.2
[M-H]- 217.08049 152.6
[M+Na-2H]- 239.06244 156.2
[M]+ 218.08722 151.4
[M]- 218.08832 151.4
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.