CID 146154971

2416235-12-4

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1CC(C1)(C2=NC=C(C=N2)C(=O)O)N
InChI
InChI=1S/C9H11N3O2/c10-9(2-1-3-9)8-11-4-6(5-12-8)7(13)14/h4-5H,1-3,10H2,(H,13,14)
InChIKey
IQWGAYHEFHTNNY-UHFFFAOYSA-N
Compound name
2-(1-aminocyclobutyl)pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 143.9
[M+Na]+ 216.07435 149.8
[M-H]- 192.07785 146.1
[M+NH4]+ 211.11895 154.5
[M+K]+ 232.04829 150.7
[M+H-H2O]+ 176.08239 131.2
[M+HCOO]- 238.08333 162.4
[M+CH3COO]- 252.09898 184.7
[M+Na-2H]- 214.05980 149.2
[M]+ 193.08458 149.1
[M]- 193.08568 149.1
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.