CID 13313561

4-(2-methoxyethoxy)phenol

Structural Information

Molecular Formula
C9H12O3
SMILES
COCCOC1=CC=C(C=C1)O
InChI
InChI=1S/C9H12O3/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5,10H,6-7H2,1H3
InChIKey
NIGIGWPNXVNZRK-UHFFFAOYSA-N
Compound name
4-(2-methoxyethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

168.07864 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 133.4
[M+Na]+ 191.06786 141.2
[M-H]- 167.07136 135.9
[M+NH4]+ 186.11246 153.4
[M+K]+ 207.04180 140.0
[M+H-H2O]+ 151.07590 127.8
[M+HCOO]- 213.07684 157.2
[M+CH3COO]- 227.09249 175.9
[M+Na-2H]- 189.05331 140.5
[M]+ 168.07809 136.2
[M]- 168.07919 136.2
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