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]+ 192.05899 137.5
[M+Na]+ 214.04093 147.3
[M-H]- 190.04443 142.0
[M+NH4]+ 209.08553 156.5
[M+K]+ 230.01487 143.1
[M+H-H2O]+ 174.04897 130.0
[M+HCOO]- 236.04991 157.2
[M+CH3COO]- 250.06556 150.9
[M+Na-2H]- 212.02638 141.1
[M]+ 191.05116 137.8
[M]- 191.05226 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.