CID 135574828

Brn 1122401

Structural Information

Molecular Formula
C11H15N3O2
SMILES
C1CC2=C(C1)N=C(NC2=O)N3CCOCC3
InChI
InChI=1S/C11H15N3O2/c15-10-8-2-1-3-9(8)12-11(13-10)14-4-6-16-7-5-14/h1-7H2,(H,12,13,15)
InChIKey
DZQPZSMOSWJWOZ-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 148.6
[M+Na]+ 244.10564 155.4
[M-H]- 220.10914 150.7
[M+NH4]+ 239.15024 163.2
[M+K]+ 260.07958 152.5
[M+H-H2O]+ 204.11368 139.7
[M+HCOO]- 266.11462 162.9
[M+CH3COO]- 280.13027 159.3
[M+Na-2H]- 242.09109 152.8
[M]+ 221.11587 143.6
[M]- 221.11697 143.6
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.