CID 85825791

1-(cyclopropylmethyl)cyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C9H14O
SMILES
C1CC(C1)(CC2CC2)C=O
InChI
InChI=1S/C9H14O/c10-7-9(4-1-5-9)6-8-2-3-8/h7-8H,1-6H2
InChIKey
NCQNLBQFBIPXJW-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)cyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

138.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 127.6
[M+Na]+ 161.093678 135.1
[M-H]- 137.097184 135.2
[M+NH4]+ 156.138283 140.2
[M+K]+ 177.067618 136.7
[M+H-H2O]+ 121.101720 118.4
[M+HCOO]- 183.102661 149.4
[M+CH3COO]- 197.118311 180.5
[M+Na-2H]- 159.079126 134.7
[M]+ 138.10391142 137.6
[M]- 138.10500858 137.6
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