CID 112756248

1-(4-methoxybutyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C8H15N3O
SMILES
COCCCCN1C=CC(=N1)N
InChI
InChI=1S/C8H15N3O/c1-12-7-3-2-5-11-6-4-8(9)10-11/h4,6H,2-3,5,7H2,1H3,(H2,9,10)
InChIKey
MDUUGDSLSBVQRP-UHFFFAOYSA-N
Compound name
1-(4-methoxybutyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.1215 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.128776 136.8
[M+Na]+ 192.110718 144.6
[M-H]- 168.114224 137.2
[M+NH4]+ 187.155323 156.1
[M+K]+ 208.084658 143.1
[M+H-H2O]+ 152.118760 129.3
[M+HCOO]- 214.119701 160.5
[M+CH3COO]- 228.135351 181.1
[M+Na-2H]- 190.096166 141.8
[M]+ 169.12095142 138.1
[M]- 169.12204858 138.1
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

No patent data available for this compound.