CID 165751169

2803861-89-2

Structural Information

Molecular Formula
C17H23NO3
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)CC2=CC=CC=C2)C=O
InChI
InChI=1S/C17H23NO3/c1-16(2,3)21-15(20)18-17(12-19)10-14(11-17)9-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,20)
InChIKey
ILANKANODFKKSQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-benzyl-1-formylcyclobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1678 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.175076 171.0
[M+Na]+ 312.157018 174.7
[M-H]- 288.160524 177.0
[M+NH4]+ 307.201623 181.6
[M+K]+ 328.130958 175.7
[M+H-H2O]+ 272.165060 159.4
[M+HCOO]- 334.166001 190.4
[M+CH3COO]- 348.181651 205.4
[M+Na-2H]- 310.142466 174.6
[M]+ 289.16725142 180.8
[M]- 289.16834858 180.8
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.