CID 69281508

2089258-67-1

Structural Information

Molecular Formula
C9H15N3O
SMILES
CC1=NN(C=C1N)C2CCOCC2
InChI
InChI=1S/C9H15N3O/c1-7-9(10)6-12(11-7)8-2-4-13-5-3-8/h6,8H,2-5,10H2,1H3
InChIKey
VPIPHCYJMTYWDB-UHFFFAOYSA-N
Compound name
3-methyl-1-(oxan-4-yl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

181.1215 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 140.2
[M+Na]+ 204.11072 146.9
[M-H]- 180.11422 144.1
[M+NH4]+ 199.15532 157.4
[M+K]+ 220.08466 145.7
[M+H-H2O]+ 164.11876 132.2
[M+HCOO]- 226.11970 159.8
[M+CH3COO]- 240.13535 181.7
[M+Na-2H]- 202.09617 143.9
[M]+ 181.12095 136.1
[M]- 181.12205 136.1
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