CID 16786051

2-(3,5-dimethyl-1h-pyrazol-4-yl)aniline

Structural Information

Molecular Formula
C11H13N3
SMILES
CC1=C(C(=NN1)C)C2=CC=CC=C2N
InChI
InChI=1S/C11H13N3/c1-7-11(8(2)14-13-7)9-5-3-4-6-10(9)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKey
JYOXGDPYEUEAFQ-UHFFFAOYSA-N
Compound name
2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.11095 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 141.1
[M+Na]+ 210.10017 150.7
[M-H]- 186.10367 144.4
[M+NH4]+ 205.14477 159.4
[M+K]+ 226.07411 146.0
[M+H-H2O]+ 170.10821 133.6
[M+HCOO]- 232.10915 163.7
[M+CH3COO]- 246.12480 154.1
[M+Na-2H]- 208.08562 145.1
[M]+ 187.11040 138.7
[M]- 187.11150 138.7
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.