CID 19002169

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

Structural Information

Molecular Formula
C7H13N3
SMILES
CCC1=C(NN=C1N)CC
InChI
InChI=1S/C7H13N3/c1-3-5-6(4-2)9-10-7(5)8/h3-4H2,1-2H3,(H3,8,9,10)
InChIKey
VQRRWJGAKXHHEI-UHFFFAOYSA-N
Compound name
4,5-diethyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

139.11095 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 130.3
[M+Na]+ 162.10017 139.1
[M-H]- 138.10367 129.9
[M+NH4]+ 157.14477 150.5
[M+K]+ 178.07411 136.5
[M+H-H2O]+ 122.10821 123.7
[M+HCOO]- 184.10915 152.5
[M+CH3COO]- 198.12480 174.5
[M+Na-2H]- 160.08562 134.5
[M]+ 139.11040 128.3
[M]- 139.11150 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