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

329
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 116.0
[M+Na]+ 121.06238 122.9
[M-H]- 97.065890 120.1
[M+NH4]+ 116.10699 134.9
[M+K]+ 137.03632 125.6
[M+H-H2O]+ 81.070426 108.1
[M+HCOO]- 143.07137 138.7
[M+CH3COO]- 157.08702 169.7
[M+Na-2H]- 119.04783 124.2
[M]+ 98.072617 124.2
[M]- 98.073715 124.2
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