CID 3157457

1238870-77-3

Structural Information

Molecular Formula
C6H11N3
SMILES
CC1=CC(=NN1)CNC
InChI
InChI=1S/C6H11N3/c1-5-3-6(4-7-2)9-8-5/h3,7H,4H2,1-2H3,(H,8,9)
InChIKey
HEWBDSWDDPJBLU-UHFFFAOYSA-N
Compound name
N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

125.0953 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.102576 125.3
[M+Na]+ 148.084518 133.6
[M-H]- 124.088024 125.2
[M+NH4]+ 143.129123 146.0
[M+K]+ 164.058458 131.6
[M+H-H2O]+ 108.092560 118.6
[M+HCOO]- 170.093501 148.5
[M+CH3COO]- 184.109151 171.0
[M+Na-2H]- 146.069966 131.9
[M]+ 125.09475142 123.6
[M]- 125.09584858 123.6
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