CID 7017771

1-propyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C6H11N3
SMILES
CCCN1C=CC(=N1)N
InChI
InChI=1S/C6H11N3/c1-2-4-9-5-3-6(7)8-9/h3,5H,2,4H2,1H3,(H2,7,8)
InChIKey
LONOODCVABUHFO-UHFFFAOYSA-N
Compound name
1-propylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

125.0953 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 124.9
[M+Na]+ 148.08452 133.6
[M-H]- 124.08802 125.7
[M+NH4]+ 143.12912 146.0
[M+K]+ 164.05846 132.2
[M+H-H2O]+ 108.09256 117.9
[M+HCOO]- 170.09350 149.0
[M+CH3COO]- 184.10915 173.0
[M+Na-2H]- 146.06997 131.0
[M]+ 125.09475 124.1
[M]- 125.09585 124.1
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