CID 101

3-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H6O2
SMILES
C1=CC(=CC(=C1)O)C=O
InChI
InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
InChIKey
IAVREABSGIHHMO-UHFFFAOYSA-N
Compound name
3-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

46
References

15116
Patents

122.03678 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.04406 120.9
[M+Na]+ 145.02600 134.3
[M+NH4]+ 140.07060 129.7
[M+K]+ 160.99994 128.1
[M-H]- 121.02950 122.7
[M+Na-2H]- 143.01145 128.4
[M]+ 122.03623 123.2
[M]- 122.03733 123.2
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