CID 84652730

1-(oxan-3-yl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C8H13N3O
SMILES
C1CC(COC1)N2C=CC(=N2)N
InChI
InChI=1S/C8H13N3O/c9-8-3-4-11(10-8)7-2-1-5-12-6-7/h3-4,7H,1-2,5-6H2,(H2,9,10)
InChIKey
LHEQKPKPNWUCNA-UHFFFAOYSA-N
Compound name
1-(oxan-3-yl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

167.10587 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 135.1
[M+Na]+ 190.095088 141.3
[M-H]- 166.098594 138.8
[M+NH4]+ 185.139693 152.5
[M+K]+ 206.069028 140.4
[M+H-H2O]+ 150.103130 127.0
[M+HCOO]- 212.104071 155.0
[M+CH3COO]- 226.119721 147.5
[M+Na-2H]- 188.080536 140.1
[M]+ 167.10532142 130.3
[M]- 167.10641858 130.3
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