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]+ 290.17508 171.0
[M+Na]+ 312.15702 174.7
[M-H]- 288.16052 177.0
[M+NH4]+ 307.20162 181.6
[M+K]+ 328.13096 175.7
[M+H-H2O]+ 272.16506 159.4
[M+HCOO]- 334.16600 190.4
[M+CH3COO]- 348.18165 205.4
[M+Na-2H]- 310.14247 174.6
[M]+ 289.16725 180.8
[M]- 289.16835 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.