CID 54227233

3,3-dimethylcyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C7H12O
SMILES
CC1(CC(C1)C=O)C
InChI
InChI=1S/C7H12O/c1-7(2)3-6(4-7)5-8/h5-6H,3-4H2,1-2H3
InChIKey
HIPQXNTZSDKPRC-UHFFFAOYSA-N
Compound name
3,3-dimethylcyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

112.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 122.2
[M+Na]+ 135.07803 129.2
[M+NH4]+ 130.12263 128.7
[M+K]+ 151.05197 123.6
[M-H]- 111.08153 121.0
[M+Na-2H]- 133.06348 126.6
[M]+ 112.08826 121.8
[M]- 112.08936 121.8
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