CID 83817340

Tert-butyl 1-formylcyclobutane-1-carboxylate

Structural Information

Molecular Formula
C10H16O3
SMILES
CC(C)(C)OC(=O)C1(CCC1)C=O
InChI
InChI=1S/C10H16O3/c1-9(2,3)13-8(12)10(7-11)5-4-6-10/h7H,4-6H2,1-3H3
InChIKey
IVEDJIIPJJGPHP-UHFFFAOYSA-N
Compound name
tert-butyl 1-formylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 140.9
[M+Na]+ 207.09916 146.4
[M-H]- 183.10266 144.5
[M+NH4]+ 202.14376 156.3
[M+K]+ 223.07310 149.3
[M+H-H2O]+ 167.10720 132.6
[M+HCOO]- 229.10814 160.3
[M+CH3COO]- 243.12379 184.1
[M+Na-2H]- 205.08461 146.4
[M]+ 184.10939 151.4
[M]- 184.11049 151.4
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.