CID 7019421

863548-52-1

Structural Information

Molecular Formula
C5H9N3
SMILES
CN1C(=CC=N1)CN
InChI
InChI=1S/C5H9N3/c1-8-5(4-6)2-3-7-8/h2-3H,4,6H2,1H3
InChIKey
XNTFQMKXUFFUQO-UHFFFAOYSA-N
Compound name
(2-methylpyrazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

425
Patents

111.07965 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.08693 120.3
[M+Na]+ 134.06887 129.5
[M-H]- 110.07237 121.3
[M+NH4]+ 129.11347 142.0
[M+K]+ 150.04281 128.3
[M+H-H2O]+ 94.076910 113.6
[M+HCOO]- 156.07785 144.8
[M+CH3COO]- 170.09350 169.9
[M+Na-2H]- 132.05432 126.9
[M]+ 111.07910 119.1
[M]- 111.08020 119.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe