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]+ 152.070596 128.4
[M+Na]+ 174.052538 137.1
[M-H]- 150.056044 131.5
[M+NH4]+ 169.097143 149.1
[M+K]+ 190.026478 135.0
[M+H-H2O]+ 134.060580 123.1
[M+HCOO]- 196.061521 153.5
[M+CH3COO]- 210.077171 175.3
[M+Na-2H]- 172.037986 135.6
[M]+ 151.06277142 128.2
[M]- 151.06386858 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