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]+ 182.128776 140.8
[M+Na]+ 204.110718 147.1
[M-H]- 180.114224 143.4
[M+NH4]+ 199.155323 157.3
[M+K]+ 220.084658 145.0
[M+H-H2O]+ 164.118760 133.1
[M+HCOO]- 226.119701 158.8
[M+CH3COO]- 240.135351 152.4
[M+Na-2H]- 202.096166 144.0
[M]+ 181.12095142 134.9
[M]- 181.12204858 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.