CID 201278

4-(n-methylformimidoyl)pyrocatechol

Structural Information

Molecular Formula
C8H9NO2
SMILES
CN=CC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C8H9NO2/c1-9-5-6-2-3-7(10)8(11)4-6/h2-5,10-11H,1H3
InChIKey
XQPDFCWIXXWPOF-UHFFFAOYSA-N
Compound name
4-(methyliminomethyl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

151.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.4
[M+Na]+ 174.05254 141.7
[M+NH4]+ 169.09714 137.6
[M+K]+ 190.02648 135.9
[M-H]- 150.05604 131.5
[M+Na-2H]- 172.03799 136.1
[M]+ 151.06277 131.6
[M]- 151.06387 131.6
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