CID 112693847

1240606-59-0

Structural Information

Molecular Formula
C10H13N3O2
SMILES
CCOC(=O)C1=CN=C(N=C1N)C2CC2
InChI
InChI=1S/C10H13N3O2/c1-2-15-10(14)7-5-12-9(6-3-4-6)13-8(7)11/h5-6H,2-4H2,1H3,(H2,11,12,13)
InChIKey
KKOSXJDFZIODAR-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2-cyclopropylpyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10077 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 150.4
[M+Na]+ 230.08999 160.3
[M-H]- 206.09349 155.1
[M+NH4]+ 225.13459 161.7
[M+K]+ 246.06393 156.4
[M+H-H2O]+ 190.09803 142.2
[M+HCOO]- 252.09897 172.6
[M+CH3COO]- 266.11462 191.1
[M+Na-2H]- 228.07544 154.7
[M]+ 207.10022 153.2
[M]- 207.10132 153.2
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.