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

21
Patents

138.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 127.6
[M+Na]+ 161.09368 135.1
[M-H]- 137.09718 135.2
[M+NH4]+ 156.13828 140.2
[M+K]+ 177.06762 136.7
[M+H-H2O]+ 121.10172 118.4
[M+HCOO]- 183.10266 149.4
[M+CH3COO]- 197.11831 180.5
[M+Na-2H]- 159.07913 134.7
[M]+ 138.10391 137.6
[M]- 138.10501 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