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]+ 199.13288 144.6
[M+Na]+ 221.11482 150.5
[M-H]- 197.11832 148.4
[M+NH4]+ 216.15942 159.7
[M+K]+ 237.08876 153.2
[M+H-H2O]+ 181.12286 136.4
[M+HCOO]- 243.12380 163.6
[M+CH3COO]- 257.13945 188.1
[M+Na-2H]- 219.10027 148.9
[M]+ 198.12505 155.7
[M]- 198.12615 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.