CID 165666987

2792217-20-8

Structural Information

Molecular Formula
C16H22O3
SMILES
CC(C)(C)OC(=O)C1CC(C1)OCC2=CC=CC=C2
InChI
InChI=1S/C16H22O3/c1-16(2,3)19-15(17)13-9-14(10-13)18-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3
InChIKey
QVJNFRCGOOMQKW-UHFFFAOYSA-N
Compound name
tert-butyl 3-phenylmethoxycyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1569 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16418 159.9
[M+Na]+ 285.14612 164.0
[M-H]- 261.14962 165.9
[M+NH4]+ 280.19072 170.2
[M+K]+ 301.12006 165.6
[M+H-H2O]+ 245.15416 148.1
[M+HCOO]- 307.15510 178.7
[M+CH3COO]- 321.17075 199.6
[M+Na-2H]- 283.13157 163.0
[M]+ 262.15635 170.7
[M]- 262.15745 170.7
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.