CID 585875

5-hydroxy-2-methylbenzaldehyde

Structural Information

Molecular Formula
C8H8O2
SMILES
CC1=C(C=C(C=C1)O)C=O
InChI
InChI=1S/C8H8O2/c1-6-2-3-8(10)4-7(6)5-9/h2-5,10H,1H3
InChIKey
QONBQACIGSEEDX-UHFFFAOYSA-N
Compound name
5-hydroxy-2-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

156
Patents

136.05243 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05971 123.4
[M+Na]+ 159.04165 133.1
[M-H]- 135.04515 126.6
[M+NH4]+ 154.08625 145.1
[M+K]+ 175.01559 131.0
[M+H-H2O]+ 119.04969 118.8
[M+HCOO]- 181.05063 147.6
[M+CH3COO]- 195.06628 171.0
[M+Na-2H]- 157.02710 130.5
[M]+ 136.05188 124.1
[M]- 136.05298 124.1
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