CID 134918244

Tert-butyl bicyclo[1.1.0]butane-1-carboxylate

Structural Information

Molecular Formula
C9H14O2
SMILES
CC(C)(C)OC(=O)C12CC1C2
InChI
InChI=1S/C9H14O2/c1-8(2,3)11-7(10)9-4-6(9)5-9/h6H,4-5H2,1-3H3
InChIKey
QUVXUNUTCPNVBG-UHFFFAOYSA-N
Compound name
tert-butyl bicyclo[1.1.0]butane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 148.5
[M+Na]+ 177.088598 157.0
[M-H]- 153.092104 154.2
[M+NH4]+ 172.133203 160.8
[M+K]+ 193.062538 156.9
[M+H-H2O]+ 137.096640 144.8
[M+HCOO]- 199.097581 165.7
[M+CH3COO]- 213.113231 190.5
[M+Na-2H]- 175.074046 154.0
[M]+ 154.09883142 155.4
[M]- 154.09992858 155.4
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.