CID 153606857

2418663-64-4

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC(C)(C)OC(=O)NC1(CC(=O)C1)C2=CC=CC=C2
InChI
InChI=1S/C15H19NO3/c1-14(2,3)19-13(18)16-15(9-12(17)10-15)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18)
InChIKey
UOQINMQMRXZUJJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-oxo-1-phenylcyclobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

261.1365 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 161.7
[M+Na]+ 284.12572 166.3
[M-H]- 260.12922 168.1
[M+NH4]+ 279.17032 173.5
[M+K]+ 300.09966 167.8
[M+H-H2O]+ 244.13376 150.5
[M+HCOO]- 306.13470 181.8
[M+CH3COO]- 320.15035 199.6
[M+Na-2H]- 282.11117 166.4
[M]+ 261.13595 170.8
[M]- 261.13705 170.8
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

patents stripe