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]+ 182.128776 141.6
[M+Na]+ 204.110718 147.4
[M-H]- 180.114224 141.5
[M+NH4]+ 199.155323 156.2
[M+K]+ 220.084658 144.8
[M+H-H2O]+ 164.118760 133.2
[M+HCOO]- 226.119701 156.4
[M+CH3COO]- 240.135351 152.2
[M+Na-2H]- 202.096166 145.4
[M]+ 181.12095142 135.6
[M]- 181.12204858 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.