CID 23246629

351427-09-3

Structural Information

Molecular Formula
C15H18O2
SMILES
CC(C)(C)OC(=O)C12CC1(C2)C3=CC=CC=C3
InChI
InChI=1S/C15H18O2/c1-13(2,3)17-12(16)15-9-14(15,10-15)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey
LGKRBZZKSMJCJT-UHFFFAOYSA-N
Compound name
tert-butyl 3-phenylbicyclo[1.1.0]butane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13796 164.5
[M+Na]+ 253.11990 172.3
[M-H]- 229.12340 172.3
[M+NH4]+ 248.16450 175.4
[M+K]+ 269.09384 173.0
[M+H-H2O]+ 213.12794 160.7
[M+HCOO]- 275.12888 181.1
[M+CH3COO]- 289.14453 201.3
[M+Na-2H]- 251.10535 170.2
[M]+ 230.13013 171.4
[M]- 230.13123 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.