CID 115014790

3-formyl-4-hydroxy-5-methoxybenzonitrile

Structural Information

Molecular Formula
C9H7NO3
SMILES
COC1=CC(=CC(=C1O)C=O)C#N
InChI
InChI=1S/C9H7NO3/c1-13-8-3-6(4-10)2-7(5-11)9(8)12/h2-3,5,12H,1H3
InChIKey
SVICIACQKCXBMB-UHFFFAOYSA-N
Compound name
3-formyl-4-hydroxy-5-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

177.04259 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 134.3
[M+Na]+ 200.03181 146.0
[M-H]- 176.03531 137.4
[M+NH4]+ 195.07641 152.4
[M+K]+ 216.00575 143.5
[M+H-H2O]+ 160.03985 122.8
[M+HCOO]- 222.04079 154.7
[M+CH3COO]- 236.05644 191.1
[M+Na-2H]- 198.01726 139.7
[M]+ 177.04204 131.8
[M]- 177.04314 131.8
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