CID 16227978

930395-97-4

Structural Information

Molecular Formula
C10H14N4O2
SMILES
COC1=NC(=NC(=C1C=O)N2CCCC2)N
InChI
InChI=1S/C10H14N4O2/c1-16-9-7(6-15)8(12-10(11)13-9)14-4-2-3-5-14/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKey
FRIOHBNVLBRJOL-UHFFFAOYSA-N
Compound name
2-amino-4-methoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

222.11168 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11896 148.9
[M+Na]+ 245.10090 157.2
[M-H]- 221.10440 151.5
[M+NH4]+ 240.14550 164.5
[M+K]+ 261.07484 154.4
[M+H-H2O]+ 205.10894 139.9
[M+HCOO]- 267.10988 169.6
[M+CH3COO]- 281.12553 189.8
[M+Na-2H]- 243.08635 151.8
[M]+ 222.11113 147.7
[M]- 222.11223 147.7
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