CID 214566

Probon acid

Structural Information

Molecular Formula
C11H15N2O3
SMILES
CC1CCCC2=[N+](C=C(C(=O)N12)C(=O)O)C
InChI
InChI=1S/C11H14N2O3/c1-7-4-3-5-9-12(2)6-8(11(15)16)10(14)13(7)9/h6-7H,3-5H2,1-2H3/p+1
InChIKey
OIOVLHUKOMPSJN-UHFFFAOYSA-O
Compound name
1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.10826 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11554 147.8
[M+Na]+ 246.09748 156.9
[M-H]- 222.10098 149.0
[M+NH4]+ 241.14208 164.0
[M+K]+ 262.07142 148.4
[M+H-H2O]+ 206.10552 143.6
[M+HCOO]- 268.10646 164.1
[M+CH3COO]- 282.12211 181.3
[M+Na-2H]- 244.08293 154.3
[M]+ 223.10771 146.0
[M]- 223.10881 146.0
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.