CID 71695418

3-(3,5-dimethyl-1h-pyrazol-4-yl)morpholine

Structural Information

Molecular Formula
C9H15N3O
SMILES
CC1=C(C(=NN1)C)C2COCCN2
InChI
InChI=1S/C9H15N3O/c1-6-9(7(2)12-11-6)8-5-13-4-3-10-8/h8,10H,3-5H2,1-2H3,(H,11,12)
InChIKey
OOFRPEDNTOJVQY-UHFFFAOYSA-N
Compound name
3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 142.2
[M+Na]+ 204.11072 149.0
[M-H]- 180.11422 142.5
[M+NH4]+ 199.15532 157.2
[M+K]+ 220.08466 146.3
[M+H-H2O]+ 164.11876 134.1
[M+HCOO]- 226.11970 156.9
[M+CH3COO]- 240.13535 153.1
[M+Na-2H]- 202.09617 145.2
[M]+ 181.12095 136.6
[M]- 181.12205 136.6
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.