CID 19614724

Methyl[(1h-pyrazol-3-yl)methyl]amine

Structural Information

Molecular Formula
C5H9N3
SMILES
CNCC1=CC=NN1
InChI
InChI=1S/C5H9N3/c1-6-4-5-2-3-7-8-5/h2-3,6H,4H2,1H3,(H,7,8)
InChIKey
FAFFFBUYETUJAQ-UHFFFAOYSA-N
Compound name
N-methyl-1-(1H-pyrazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

111.07965 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.08693 120.7
[M+Na]+ 134.06887 128.4
[M-H]- 110.07237 120.3
[M+NH4]+ 129.11347 141.5
[M+K]+ 150.04281 126.7
[M+H-H2O]+ 94.076910 113.7
[M+HCOO]- 156.07785 144.2
[M+CH3COO]- 170.09350 166.9
[M+Na-2H]- 132.05432 128.5
[M]+ 111.07910 118.2
[M]- 111.08020 118.2
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