CID 178200057

Tert-butyl 3-formyl-1-methylcyclobutane-1-carboxylate

Structural Information

Molecular Formula
C11H18O3
SMILES
CC1(CC(C1)C=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H18O3/c1-10(2,3)14-9(13)11(4)5-8(6-11)7-12/h7-8H,5-6H2,1-4H3
InChIKey
QZCSTOOMPLSSJG-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-1-methylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.132876 144.6
[M+Na]+ 221.114818 150.5
[M-H]- 197.118324 148.4
[M+NH4]+ 216.159423 159.7
[M+K]+ 237.088758 153.2
[M+H-H2O]+ 181.122860 136.4
[M+HCOO]- 243.123801 163.6
[M+CH3COO]- 257.139451 188.1
[M+Na-2H]- 219.100266 148.9
[M]+ 198.12505142 155.7
[M]- 198.12614858 155.7
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.