CID 62907592

4-methyl-3-(oxan-4-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C9H15N3O
SMILES
CC1=C(NN=C1N)C2CCOCC2
InChI
InChI=1S/C9H15N3O/c1-6-8(11-12-9(6)10)7-2-4-13-5-3-7/h7H,2-5H2,1H3,(H3,10,11,12)
InChIKey
VBBBTQSQJTVDDF-UHFFFAOYSA-N
Compound name
4-methyl-5-(oxan-4-yl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 140.8
[M+Na]+ 204.11072 147.1
[M-H]- 180.11422 143.4
[M+NH4]+ 199.15532 157.3
[M+K]+ 220.08466 145.0
[M+H-H2O]+ 164.11876 133.1
[M+HCOO]- 226.11970 158.8
[M+CH3COO]- 240.13535 152.4
[M+Na-2H]- 202.09617 144.0
[M]+ 181.12095 134.9
[M]- 181.12205 134.9
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.