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

4
Patents

151.07455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 129.7
[M+Na]+ 174.06377 138.4
[M-H]- 150.06727 130.9
[M+NH4]+ 169.10837 148.1
[M+K]+ 190.03771 136.5
[M+H-H2O]+ 134.07181 122.3
[M+HCOO]- 196.07275 153.8
[M+CH3COO]- 210.08840 177.7
[M+Na-2H]- 172.04922 138.7
[M]+ 151.07400 130.3
[M]- 151.07510 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