CID 366913

Nsc635975

Structural Information

Molecular Formula
C13H18O2
SMILES
CC(C)(C)C1=CC=C(C=C1)OC2CCO2
InChI
InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)15-12-8-9-14-12/h4-7,12H,8-9H2,1-3H3
InChIKey
OZPRZJSSPTVHAB-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenoxy)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.13068 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 140.9
[M+Na]+ 229.11990 146.6
[M-H]- 205.12340 148.1
[M+NH4]+ 224.16450 152.5
[M+K]+ 245.09384 149.4
[M+H-H2O]+ 189.12794 130.1
[M+HCOO]- 251.12888 160.6
[M+CH3COO]- 265.14453 189.6
[M+Na-2H]- 227.10535 148.0
[M]+ 206.13013 151.3
[M]- 206.13123 151.3
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

No patent data available for this compound.