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]+ 196.18083 148.8
[M+Na]+ 218.16277 155.8
[M-H]- 194.16627 149.4
[M+NH4]+ 213.20737 167.4
[M+K]+ 234.13671 154.0
[M+H-H2O]+ 178.17081 141.4
[M+HCOO]- 240.17175 169.2
[M+CH3COO]- 254.18740 191.0
[M+Na-2H]- 216.14822 149.0
[M]+ 195.17300 148.9
[M]- 195.17410 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.