CID 62385497

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

Structural Information

Molecular Formula
C9H15N3O
SMILES
C1COCCC1CN2C=CC(=N2)N
InChI
InChI=1S/C9H15N3O/c10-9-1-4-12(11-9)7-8-2-5-13-6-3-8/h1,4,8H,2-3,5-7H2,(H2,10,11)
InChIKey
QEPILCRKOIFUEX-UHFFFAOYSA-N
Compound name
1-(oxan-4-ylmethyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

181.1215 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 139.6
[M+Na]+ 204.11072 145.4
[M-H]- 180.11422 143.1
[M+NH4]+ 199.15532 156.5
[M+K]+ 220.08466 144.2
[M+H-H2O]+ 164.11876 131.3
[M+HCOO]- 226.11970 159.2
[M+CH3COO]- 240.13535 180.6
[M+Na-2H]- 202.09617 144.1
[M]+ 181.12095 135.1
[M]- 181.12205 135.1
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