CID 52141999

4-[2-(3,5-dimethyl-1h-pyrazol-1-yl)ethyl]morpholine

Structural Information

Molecular Formula
C11H19N3O
SMILES
CC1=CC(=NN1CCN2CCOCC2)C
InChI
InChI=1S/C11H19N3O/c1-10-9-11(2)14(12-10)4-3-13-5-7-15-8-6-13/h9H,3-8H2,1-2H3
InChIKey
AZPGZGOYOJVLIO-UHFFFAOYSA-N
Compound name
4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.15282 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.160096 149.6
[M+Na]+ 232.142038 156.3
[M-H]- 208.145544 152.2
[M+NH4]+ 227.186643 164.8
[M+K]+ 248.115978 155.0
[M+H-H2O]+ 192.150080 140.6
[M+HCOO]- 254.151021 166.7
[M+CH3COO]- 268.166671 186.4
[M+Na-2H]- 230.127486 152.5
[M]+ 209.15227142 148.4
[M]- 209.15336858 148.4
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