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 128.4
[M+Na]+ 174.05254 137.1
[M-H]- 150.05604 131.5
[M+NH4]+ 169.09714 149.1
[M+K]+ 190.02648 135.0
[M+H-H2O]+ 134.06058 123.1
[M+HCOO]- 196.06152 153.5
[M+CH3COO]- 210.07717 175.3
[M+Na-2H]- 172.03799 135.6
[M]+ 151.06277 128.2
[M]- 151.06387 128.2
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