CID 66441838

1-(3-methylbutyl)-5-(propan-2-yl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C11H21N3
SMILES
CC(C)CCN1C(=C(C=N1)N)C(C)C
InChI
InChI=1S/C11H21N3/c1-8(2)5-6-14-11(9(3)4)10(12)7-13-14/h7-9H,5-6,12H2,1-4H3
InChIKey
GDMXXUBTDGHZDI-UHFFFAOYSA-N
Compound name
1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.17355 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.180826 148.8
[M+Na]+ 218.162768 155.8
[M-H]- 194.166274 149.4
[M+NH4]+ 213.207373 167.4
[M+K]+ 234.136708 154.0
[M+H-H2O]+ 178.170810 141.4
[M+HCOO]- 240.171751 169.2
[M+CH3COO]- 254.187401 191.0
[M+Na-2H]- 216.148216 149.0
[M]+ 195.17300142 148.9
[M]- 195.17409858 148.9
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.