CID 10920675

5-hydroxy-2-methoxybenzonitrile

Structural Information

Molecular Formula
C8H7NO2
SMILES
COC1=C(C=C(C=C1)O)C#N
InChI
InChI=1S/C8H7NO2/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4,10H,1H3
InChIKey
DELKLBKHSGNEJN-UHFFFAOYSA-N
Compound name
5-hydroxy-2-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

149.04768 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 128.7
[M+Na]+ 172.03690 139.9
[M-H]- 148.04040 131.6
[M+NH4]+ 167.08150 147.8
[M+K]+ 188.01084 137.5
[M+H-H2O]+ 132.04494 117.4
[M+HCOO]- 194.04588 149.1
[M+CH3COO]- 208.06153 186.3
[M+Na-2H]- 170.02235 135.2
[M]+ 149.04713 124.9
[M]- 149.04823 124.9
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