CID 19361571

N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C9H11N3S
SMILES
C1CSC(=N1)NCC2=CN=CC=C2
InChI
InChI=1S/C9H11N3S/c1-2-8(6-10-3-1)7-12-9-11-4-5-13-9/h1-3,6H,4-5,7H2,(H,11,12)
InChIKey
VBDMSARZKWIPJQ-UHFFFAOYSA-N
Compound name
N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

193.06737 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.074646 138.5
[M+Na]+ 216.056588 146.4
[M-H]- 192.060094 142.7
[M+NH4]+ 211.101193 157.3
[M+K]+ 232.030528 143.0
[M+H-H2O]+ 176.064630 130.7
[M+HCOO]- 238.065571 157.5
[M+CH3COO]- 252.081221 151.3
[M+Na-2H]- 214.042036 142.9
[M]+ 193.06682142 137.9
[M]- 193.06791858 137.9
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

patents stripe