CID 43608643

1-methyl-n-(oxan-4-yl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C9H15N3O
SMILES
CN1C=C(C=N1)NC2CCOCC2
InChI
InChI=1S/C9H15N3O/c1-12-7-9(6-10-12)11-8-2-4-13-5-3-8/h6-8,11H,2-5H2,1H3
InChIKey
QSCAGDQZSRZPOH-UHFFFAOYSA-N
Compound name
1-methyl-N-(oxan-4-yl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

181.1215 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 139.3
[M+Na]+ 204.11072 145.0
[M-H]- 180.11422 143.3
[M+NH4]+ 199.15532 156.4
[M+K]+ 220.08466 144.3
[M+H-H2O]+ 164.11876 130.9
[M+HCOO]- 226.11970 159.5
[M+CH3COO]- 240.13535 181.2
[M+Na-2H]- 202.09617 144.8
[M]+ 181.12095 135.8
[M]- 181.12205 135.8
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