CID 936840

3-methyl-1-(3-methylphenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C11H13N3
SMILES
CC1=CC(=CC=C1)N2C(=CC(=N2)C)N
InChI
InChI=1S/C11H13N3/c1-8-4-3-5-10(6-8)14-11(12)7-9(2)13-14/h3-7H,12H2,1-2H3
InChIKey
HRJSLUPAMXKPPM-UHFFFAOYSA-N
Compound name
5-methyl-2-(3-methylphenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1010
Patents

187.11095 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 140.6
[M+Na]+ 210.10017 150.5
[M-H]- 186.10367 145.2
[M+NH4]+ 205.14477 159.5
[M+K]+ 226.07411 146.8
[M+H-H2O]+ 170.10821 132.8
[M+HCOO]- 232.10915 164.6
[M+CH3COO]- 246.12480 185.8
[M+Na-2H]- 208.08562 145.0
[M]+ 187.11040 140.0
[M]- 187.11150 140.0
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

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