CID 20134527

1-methylcyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C6H10O
SMILES
CC1(CCC1)C=O
InChI
InChI=1S/C6H10O/c1-6(5-7)3-2-4-6/h5H,2-4H2,1H3
InChIKey
NCJXPECBGWEDFS-UHFFFAOYSA-N
Compound name
1-methylcyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

98.073166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 118.1
[M+Na]+ 121.06238 125.0
[M+NH4]+ 116.10699 124.8
[M+K]+ 137.03632 119.4
[M-H]- 97.065890 117.0
[M+Na-2H]- 119.04783 123.0
[M]+ 98.072617 117.7
[M]- 98.073715 117.7
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