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

9
Patents

193.06737 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.07465 138.5
[M+Na]+ 216.05659 146.4
[M-H]- 192.06009 142.7
[M+NH4]+ 211.10119 157.3
[M+K]+ 232.03053 143.0
[M+H-H2O]+ 176.06463 130.7
[M+HCOO]- 238.06557 157.5
[M+CH3COO]- 252.08122 151.3
[M+Na-2H]- 214.04204 142.9
[M]+ 193.06682 137.9
[M]- 193.06792 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