CID 12600914

2-((1r,3r)-3-acetyl-2,2-dimethylcyclobutyl)acetaldehyde

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(=O)[C@@H]1C[C@@H](C1(C)C)CC=O
InChI
InChI=1S/C10H16O2/c1-7(12)9-6-8(4-5-11)10(9,2)3/h5,8-9H,4,6H2,1-3H3/t8-,9-/m0/s1
InChIKey
GCHDWVBHKDJOKU-IUCAKERBSA-N
Compound name
2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 136.0
[M+Na]+ 191.10426 142.9
[M-H]- 167.10776 140.1
[M+NH4]+ 186.14886 152.5
[M+K]+ 207.07820 144.9
[M+H-H2O]+ 151.11230 127.8
[M+HCOO]- 213.11324 156.7
[M+CH3COO]- 227.12889 185.4
[M+Na-2H]- 189.08971 139.5
[M]+ 168.11449 146.4
[M]- 168.11559 146.4
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.