CID 3134941

3-ethyl-4-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C6H11N3
SMILES
CCC1=C(C(=NN1)N)C
InChI
InChI=1S/C6H11N3/c1-3-5-4(2)6(7)9-8-5/h3H2,1-2H3,(H3,7,8,9)
InChIKey
KPWCURLGTSCHNE-UHFFFAOYSA-N
Compound name
5-ethyl-4-methyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

125.0953 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 125.8
[M+Na]+ 148.08452 135.0
[M-H]- 124.08802 125.6
[M+NH4]+ 143.12912 146.5
[M+K]+ 164.05846 132.6
[M+H-H2O]+ 108.09256 119.4
[M+HCOO]- 170.09350 148.3
[M+CH3COO]- 184.10915 171.5
[M+Na-2H]- 146.06997 130.5
[M]+ 125.09475 123.4
[M]- 125.09585 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe