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

297
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]+ 121.062384 122.9
[M-H]- 97.065890 120.1
[M+NH4]+ 116.106989 134.9
[M+K]+ 137.036324 125.6
[M+H-H2O]+ 81.070426 108.1
[M+HCOO]- 143.071367 138.7
[M+CH3COO]- 157.087017 169.7
[M+Na-2H]- 119.047832 124.2
[M]+ 98.07261742 124.2
[M]- 98.07371458 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