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]+ 195.06990 137.6
[M+Na]+ 217.05184 148.9
[M-H]- 193.05534 142.2
[M+NH4]+ 212.09644 157.5
[M+K]+ 233.02578 146.0
[M+H-H2O]+ 177.05988 129.9
[M+HCOO]- 239.06082 159.3
[M+CH3COO]- 253.07647 151.8
[M+Na-2H]- 215.03729 140.8
[M]+ 194.06207 141.5
[M]- 194.06317 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.