CID 66509815

2-(2-methylpyrimidin-4-yl)morpholine

Structural Information

Molecular Formula
C9H13N3O
SMILES
CC1=NC=CC(=N1)C2CNCCO2
InChI
InChI=1S/C9H13N3O/c1-7-11-3-2-8(12-7)9-6-10-4-5-13-9/h2-3,9-10H,4-6H2,1H3
InChIKey
BMQBEDLWQGNCKQ-UHFFFAOYSA-N
Compound name
2-(2-methylpyrimidin-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

179.10587 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.113146 140.4
[M+Na]+ 202.095088 146.8
[M-H]- 178.098594 141.6
[M+NH4]+ 197.139693 153.9
[M+K]+ 218.069028 144.6
[M+H-H2O]+ 162.103130 131.3
[M+HCOO]- 224.104071 155.8
[M+CH3COO]- 238.119721 151.4
[M+Na-2H]- 200.080536 147.5
[M]+ 179.10532142 135.5
[M]- 179.10641858 135.5
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