CID 130569346

Methyl({[2-(1h-pyrazol-1-yl)-1,3-thiazol-5-yl]methyl})amine

Structural Information

Molecular Formula
C8H10N4S
SMILES
CNCC1=CN=C(S1)N2C=CC=N2
InChI
InChI=1S/C8H10N4S/c1-9-5-7-6-10-8(13-7)12-4-2-3-11-12/h2-4,6,9H,5H2,1H3
InChIKey
NVHKWWMZDABWIZ-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06262 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.069896 137.6
[M+Na]+ 217.051838 148.9
[M-H]- 193.055344 142.2
[M+NH4]+ 212.096443 157.5
[M+K]+ 233.025778 146.0
[M+H-H2O]+ 177.059880 129.9
[M+HCOO]- 239.060821 159.3
[M+CH3COO]- 253.076471 151.8
[M+Na-2H]- 215.037286 140.8
[M]+ 194.06207142 141.5
[M]- 194.06316858 141.5
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.