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]+ 169.122316 136.0
[M+Na]+ 191.104258 142.9
[M-H]- 167.107764 140.1
[M+NH4]+ 186.148863 152.5
[M+K]+ 207.078198 144.9
[M+H-H2O]+ 151.112300 127.8
[M+HCOO]- 213.113241 156.7
[M+CH3COO]- 227.128891 185.4
[M+Na-2H]- 189.089706 139.5
[M]+ 168.11449142 146.4
[M]- 168.11558858 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.