CID 220038

2416-30-0

Structural Information

Molecular Formula
C13H20O2
SMILES
CC(COC1=CC=C(C=C1)C(C)(C)C)O
InChI
InChI=1S/C13H20O2/c1-10(14)9-15-12-7-5-11(6-8-12)13(2,3)4/h5-8,10,14H,9H2,1-4H3
InChIKey
ZBMCOYJNWKBBCY-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

208.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 149.0
[M+Na]+ 231.135548 155.5
[M-H]- 207.139054 151.3
[M+NH4]+ 226.180153 167.7
[M+K]+ 247.109488 153.7
[M+H-H2O]+ 191.143590 143.7
[M+HCOO]- 253.144531 168.7
[M+CH3COO]- 267.160181 186.5
[M+Na-2H]- 229.120996 153.4
[M]+ 208.14578142 150.6
[M]- 208.14687858 150.6
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