CID 11400865

2-(ethylamino)pyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C7H9N3O
SMILES
CCNC1=NC=C(C=N1)C=O
InChI
InChI=1S/C7H9N3O/c1-2-8-7-9-3-6(5-11)4-10-7/h3-5H,2H2,1H3,(H,8,9,10)
InChIKey
FFFRZFQWAMMSTB-UHFFFAOYSA-N
Compound name
2-(ethylamino)pyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

151.07455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.081826 129.7
[M+Na]+ 174.063768 138.4
[M-H]- 150.067274 130.9
[M+NH4]+ 169.108373 148.1
[M+K]+ 190.037708 136.5
[M+H-H2O]+ 134.071810 122.3
[M+HCOO]- 196.072751 153.8
[M+CH3COO]- 210.088401 177.7
[M+Na-2H]- 172.049216 138.7
[M]+ 151.07400142 130.3
[M]- 151.07509858 130.3
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