CID 360509

Nsc622644

Structural Information

Molecular Formula
C8H13N2O2
SMILES
CN(C)C1=C(C(=[N+](C)C)C1=O)O
InChI
InChI=1S/C8H12N2O2/c1-9(2)5-7(11)6(8(5)12)10(3)4/h1-4H3/p+1
InChIKey
YNLZGALCALRTFU-UHFFFAOYSA-O
Compound name
[3-(dimethylamino)-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0977 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.10498 135.1
[M+Na]+ 192.08692 142.6
[M-H]- 168.09042 141.5
[M+NH4]+ 187.13152 149.5
[M+K]+ 208.06086 140.9
[M+H-H2O]+ 152.09496 126.4
[M+HCOO]- 214.09590 160.9
[M+CH3COO]- 228.11155 185.6
[M+Na-2H]- 190.07237 140.9
[M]+ 169.09715 145.4
[M]- 169.09825 145.4
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.