CID 53782318

3-methylcyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C6H10O
SMILES
CC1CC(C1)C=O
InChI
InChI=1S/C6H10O/c1-5-2-6(3-5)4-7/h4-6H,2-3H2,1H3
InChIKey
WSIKZXHZNUEYPX-UHFFFAOYSA-N
Compound name
3-methylcyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

98.073166 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 114.3
[M+Na]+ 121.062384 121.3
[M-H]- 97.065890 118.3
[M+NH4]+ 116.106989 131.5
[M+K]+ 137.036324 123.9
[M+H-H2O]+ 81.070426 105.4
[M+HCOO]- 143.071367 137.0
[M+CH3COO]- 157.087017 171.2
[M+Na-2H]- 119.047832 120.9
[M]+ 98.07261742 122.6
[M]- 98.07371458 122.6
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