CID 66509815

Schembl24001944

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

7
Patents

179.10587 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 140.4
[M+Na]+ 202.09509 146.8
[M-H]- 178.09859 141.6
[M+NH4]+ 197.13969 153.9
[M+K]+ 218.06903 144.6
[M+H-H2O]+ 162.10313 131.3
[M+HCOO]- 224.10407 155.8
[M+CH3COO]- 238.11972 151.4
[M+Na-2H]- 200.08054 147.5
[M]+ 179.10532 135.5
[M]- 179.10642 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