CID 86767720

1-methyl-3-(oxolan-2-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C8H13N3O
SMILES
CN1C(=CC(=N1)C2CCCO2)N
InChI
InChI=1S/C8H13N3O/c1-11-8(9)5-6(10-11)7-3-2-4-12-7/h5,7H,2-4,9H2,1H3
InChIKey
KCXASWIJXRCXDP-UHFFFAOYSA-N
Compound name
1-methyl-3-(oxolan-2-yl)pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 134.9
[M+Na]+ 190.095088 142.8
[M-H]- 166.098594 139.5
[M+NH4]+ 185.139693 154.5
[M+K]+ 206.069028 142.2
[M+H-H2O]+ 150.103130 127.7
[M+HCOO]- 212.104071 157.0
[M+CH3COO]- 226.119721 178.8
[M+Na-2H]- 188.080536 137.7
[M]+ 167.10532142 132.7
[M]- 167.10641858 132.7
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.