CID 53817666

3-cyclobutylpropanal

Structural Information

Molecular Formula
C7H12O
SMILES
C1CC(C1)CCC=O
InChI
InChI=1S/C7H12O/c8-6-2-5-7-3-1-4-7/h6-7H,1-5H2
InChIKey
OECCKISSVGVIIQ-UHFFFAOYSA-N
Compound name
3-cyclobutylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

112.08881 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 119.4
[M+Na]+ 135.07803 125.0
[M-H]- 111.08153 122.8
[M+NH4]+ 130.12263 135.7
[M+K]+ 151.05197 127.4
[M+H-H2O]+ 95.086070 109.9
[M+HCOO]- 157.08701 141.7
[M+CH3COO]- 171.10266 173.1
[M+Na-2H]- 133.06348 126.1
[M]+ 112.08826 127.6
[M]- 112.08936 127.6
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