CID 58262674

3-cyclobutyl-2-methylpropanal

Structural Information

Molecular Formula
C8H14O
SMILES
CC(CC1CCC1)C=O
InChI
InChI=1S/C8H14O/c1-7(6-9)5-8-3-2-4-8/h6-8H,2-5H2,1H3
InChIKey
HRNAUPHLMBJIKS-UHFFFAOYSA-N
Compound name
3-cyclobutyl-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

126.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 126.0
[M+Na]+ 149.09368 130.9
[M-H]- 125.09718 129.3
[M+NH4]+ 144.13828 141.7
[M+K]+ 165.06762 133.5
[M+H-H2O]+ 109.10172 116.3
[M+HCOO]- 171.10266 147.0
[M+CH3COO]- 185.11831 176.8
[M+Na-2H]- 147.07913 130.8
[M]+ 126.10391 133.9
[M]- 126.10501 133.9
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

patents stripe