CID 155973252

Tert-butyl bicyclo[2.1.1]hexane-1-carboxylate

Structural Information

Molecular Formula
C11H18O2
SMILES
CC(C)(C)OC(=O)C12CCC(C1)C2
InChI
InChI=1S/C11H18O2/c1-10(2,3)13-9(12)11-5-4-8(6-11)7-11/h8H,4-7H2,1-3H3
InChIKey
UHPCNTUJLLJSHJ-UHFFFAOYSA-N
Compound name
tert-butyl bicyclo[2.1.1]hexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 153.9
[M+Na]+ 205.119898 159.1
[M-H]- 181.123404 155.1
[M+NH4]+ 200.164503 176.4
[M+K]+ 221.093838 160.6
[M+H-H2O]+ 165.127940 148.2
[M+HCOO]- 227.128881 169.5
[M+CH3COO]- 241.144531 186.7
[M+Na-2H]- 203.105346 160.1
[M]+ 182.13013142 167.4
[M]- 182.13122858 167.4
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.