CID 112489237

2-(4-ethyl-1h-pyrazol-3-yl)morpholine dihydrochloride

Structural Information

Molecular Formula
C9H15N3O
SMILES
CCC1=C(NN=C1)C2CNCCO2
InChI
InChI=1S/C9H15N3O/c1-2-7-5-11-12-9(7)8-6-10-3-4-13-8/h5,8,10H,2-4,6H2,1H3,(H,11,12)
InChIKey
VNTQVHBPLVELRW-UHFFFAOYSA-N
Compound name
2-(4-ethyl-1H-pyrazol-5-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 141.6
[M+Na]+ 204.11072 147.4
[M-H]- 180.11422 141.5
[M+NH4]+ 199.15532 156.2
[M+K]+ 220.08466 144.8
[M+H-H2O]+ 164.11876 133.2
[M+HCOO]- 226.11970 156.4
[M+CH3COO]- 240.13535 152.2
[M+Na-2H]- 202.09617 145.4
[M]+ 181.12095 135.6
[M]- 181.12205 135.6
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.