CID 11041647

3-[4-(propan-2-yloxy)phenyl]propan-1-ol

Structural Information

Molecular Formula
C12H18O2
SMILES
CC(C)OC1=CC=C(C=C1)CCCO
InChI
InChI=1S/C12H18O2/c1-10(2)14-12-7-5-11(6-8-12)4-3-9-13/h5-8,10,13H,3-4,9H2,1-2H3
InChIKey
OINFBDTYTOUBIM-UHFFFAOYSA-N
Compound name
3-(4-propan-2-yloxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

194.13068 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 144.7
[M+Na]+ 217.11990 151.1
[M-H]- 193.12340 146.8
[M+NH4]+ 212.16450 163.8
[M+K]+ 233.09384 149.1
[M+H-H2O]+ 177.12794 138.9
[M+HCOO]- 239.12888 166.3
[M+CH3COO]- 253.14453 183.7
[M+Na-2H]- 215.10535 148.9
[M]+ 194.13013 146.5
[M]- 194.13123 146.5
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