CID 87722070

Acetic acid, 2-(2-formyl-6-methylphenoxy)-

Structural Information

Molecular Formula
C10H10O4
SMILES
CC1=C(C(=CC=C1)C=O)OCC(=O)O
InChI
InChI=1S/C10H10O4/c1-7-3-2-4-8(5-11)10(7)14-6-9(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey
XNBLDYHVHAIKFB-UHFFFAOYSA-N
Compound name
2-(2-formyl-6-methylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

194.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 137.6
[M+Na]+ 217.04712 146.2
[M-H]- 193.05062 140.5
[M+NH4]+ 212.09172 156.6
[M+K]+ 233.02106 144.6
[M+H-H2O]+ 177.05516 132.1
[M+HCOO]- 239.05610 160.7
[M+CH3COO]- 253.07175 181.3
[M+Na-2H]- 215.03257 142.3
[M]+ 194.05735 140.6
[M]- 194.05845 140.6
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