CID 28379724

1240528-34-0

Structural Information

Molecular Formula
C9H9N3S
SMILES
C1=CN=CC=C1C2=CSC(=N2)CN
InChI
InChI=1S/C9H9N3S/c10-5-9-12-8(6-13-9)7-1-3-11-4-2-7/h1-4,6H,5,10H2
InChIKey
URVHYFCPQPKWDZ-UHFFFAOYSA-N
Compound name
(4-pyridin-4-yl-1,3-thiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05171 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.058986 137.5
[M+Na]+ 214.040928 147.3
[M-H]- 190.044434 142.0
[M+NH4]+ 209.085533 156.5
[M+K]+ 230.014868 143.1
[M+H-H2O]+ 174.048970 130.0
[M+HCOO]- 236.049911 157.2
[M+CH3COO]- 250.065561 150.9
[M+Na-2H]- 212.026376 141.1
[M]+ 191.05116142 137.8
[M]- 191.05225858 137.8
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.