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]+ 263.164176 159.9
[M+Na]+ 285.146118 164.0
[M-H]- 261.149624 165.9
[M+NH4]+ 280.190723 170.2
[M+K]+ 301.120058 165.6
[M+H-H2O]+ 245.154160 148.1
[M+HCOO]- 307.155101 178.7
[M+CH3COO]- 321.170751 199.6
[M+Na-2H]- 283.131566 163.0
[M]+ 262.15635142 170.7
[M]- 262.15744858 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.