CID 82692249

3,5-diethyl-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C7H13N3
SMILES
CCC1=C(C(=NN1)CC)N
InChI
InChI=1S/C7H13N3/c1-3-5-7(8)6(4-2)10-9-5/h3-4,8H2,1-2H3,(H,9,10)
InChIKey
IMBJNOJXJVXFSE-UHFFFAOYSA-N
Compound name
3,5-diethyl-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

139.11095 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.118226 130.3
[M+Na]+ 162.100168 139.1
[M-H]- 138.103674 129.9
[M+NH4]+ 157.144773 150.5
[M+K]+ 178.074108 136.5
[M+H-H2O]+ 122.108210 123.7
[M+HCOO]- 184.109151 152.5
[M+CH3COO]- 198.124801 174.5
[M+Na-2H]- 160.085616 134.5
[M]+ 139.11040142 128.3
[M]- 139.11149858 128.3
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