CID 7022529

2-hydroxy-5-methoxybenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

149.04768 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 128.7
[M+Na]+ 172.036898 139.9
[M-H]- 148.040404 131.6
[M+NH4]+ 167.081503 147.8
[M+K]+ 188.010838 137.5
[M+H-H2O]+ 132.044940 117.4
[M+HCOO]- 194.045881 149.1
[M+CH3COO]- 208.061531 186.3
[M+Na-2H]- 170.022346 135.2
[M]+ 149.04713142 124.9
[M]- 149.04822858 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

literature stripe

Patent stripe

patents stripe