CID 11138706

133332-49-7

Structural Information

Molecular Formula
C13H18O3
SMILES
COC1=C(C=C(C=C1)CO)OC2CCCC2
InChI
InChI=1S/C13H18O3/c1-15-12-7-6-10(9-14)8-13(12)16-11-4-2-3-5-11/h6-8,11,14H,2-5,9H2,1H3
InChIKey
JIRHAGAOHOYLNO-UHFFFAOYSA-N
Compound name
(3-cyclopentyloxy-4-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12825
Patents

222.1256 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13288 149.7
[M+Na]+ 245.11482 155.9
[M-H]- 221.11832 154.9
[M+NH4]+ 240.15942 169.1
[M+K]+ 261.08876 153.5
[M+H-H2O]+ 205.12286 143.4
[M+HCOO]- 267.12380 171.5
[M+CH3COO]- 281.13945 185.4
[M+Na-2H]- 243.10027 152.1
[M]+ 222.12505 149.6
[M]- 222.12615 149.6
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