CID 23004717

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

Structural Information

Molecular Formula
C11H13N3
SMILES
CC1=CC(=NN1C2=CC=CC(=C2)N)C
InChI
InChI=1S/C11H13N3/c1-8-6-9(2)14(13-8)11-5-3-4-10(12)7-11/h3-7H,12H2,1-2H3
InChIKey
KXRSKQVOVMVSME-UHFFFAOYSA-N
Compound name
3-(3,5-dimethylpyrazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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 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

No literature data available for this compound.

Patent stripe

patents stripe