CID 76614

3153-97-7

Structural Information

Molecular Formula
C9H12O4
SMILES
COC1=CC(=CC(=C1O)CO)CO
InChI
InChI=1S/C9H12O4/c1-13-8-3-6(4-10)2-7(5-11)9(8)12/h2-3,10-12H,4-5H2,1H3
InChIKey
NXEJUFMLUUNXKI-UHFFFAOYSA-N
Compound name
2,4-bis(hydroxymethyl)-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

184.07356 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 136.7
[M+Na]+ 207.062778 145.4
[M-H]- 183.066284 137.1
[M+NH4]+ 202.107383 155.2
[M+K]+ 223.036718 143.0
[M+H-H2O]+ 167.070820 131.8
[M+HCOO]- 229.071761 157.6
[M+CH3COO]- 243.087411 175.4
[M+Na-2H]- 205.048226 141.3
[M]+ 184.07301142 137.9
[M]- 184.07410858 137.9
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