CID 424389

Norzooanemonin

Structural Information

Molecular Formula
C6H9N2O2
SMILES
CN1C=[N+](C=C1C(=O)O)C
InChI
InChI=1S/C6H8N2O2/c1-7-3-5(6(9)10)8(2)4-7/h3-4H,1-2H3/p+1
InChIKey
DRNBMZDLYPBIHO-UHFFFAOYSA-O
Compound name
1,3-dimethylimidazol-1-ium-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

141.0664 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.07368 126.1
[M+Na]+ 164.05562 136.1
[M-H]- 140.05912 127.0
[M+NH4]+ 159.10022 146.3
[M+K]+ 180.02956 129.6
[M+H-H2O]+ 124.06366 122.9
[M+HCOO]- 186.06460 147.7
[M+CH3COO]- 200.08025 164.4
[M+Na-2H]- 162.04107 133.0
[M]+ 141.06585 125.7
[M]- 141.06695 125.7
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