CID 118499

Benzenepropanol, 2,5-dimethoxy-

Structural Information

Molecular Formula
C11H16O3
SMILES
COC1=CC(=C(C=C1)OC)CCCO
InChI
InChI=1S/C11H16O3/c1-13-10-5-6-11(14-2)9(8-10)4-3-7-12/h5-6,8,12H,3-4,7H2,1-2H3
InChIKey
IGUFFVCWVNIHEE-UHFFFAOYSA-N
Compound name
3-(2,5-dimethoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

196.10994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 142.2
[M+Na]+ 219.09916 150.1
[M-H]- 195.10266 144.7
[M+NH4]+ 214.14376 161.4
[M+K]+ 235.07310 148.4
[M+H-H2O]+ 179.10720 136.4
[M+HCOO]- 241.10814 165.3
[M+CH3COO]- 255.12379 183.1
[M+Na-2H]- 217.08461 147.5
[M]+ 196.10939 146.1
[M]- 196.11049 146.1
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