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 146.6
[M+Na]+ 241.07699 155.0
[M-H]- 217.08049 152.5
[M+NH4]+ 236.12159 166.1
[M+K]+ 257.05093 150.7
[M+H-H2O]+ 201.08503 139.3
[M+HCOO]- 263.08597 167.2
[M+CH3COO]- 277.10162 159.7
[M+Na-2H]- 239.06244 149.8
[M]+ 218.08722 148.4
[M]- 218.08832 148.4
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.