CID 79406

3-(4-methoxyphenyl)propan-1-ol

Structural Information

Molecular Formula
C10H14O2
SMILES
COC1=CC=C(C=C1)CCCO
InChI
InChI=1S/C10H14O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7,11H,2-3,8H2,1H3
InChIKey
NIIDHUCLROLCBU-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

667
Patents

166.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 135.0
[M+Na]+ 189.08860 142.5
[M-H]- 165.09210 137.3
[M+NH4]+ 184.13320 155.2
[M+K]+ 205.06254 140.5
[M+H-H2O]+ 149.09664 129.5
[M+HCOO]- 211.09758 158.2
[M+CH3COO]- 225.11323 176.8
[M+Na-2H]- 187.07405 141.6
[M]+ 166.09883 136.7
[M]- 166.09993 136.7
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