CID 77528

3-(3,4-dimethoxyphenyl)-1-propanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

264
Patents

196.10994 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe