CID 51358507

1-ethylcyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C7H12O
SMILES
CCC1(CCC1)C=O
InChI
InChI=1S/C7H12O/c1-2-7(6-8)4-3-5-7/h6H,2-5H2,1H3
InChIKey
FTHUFBUZFDIYSA-UHFFFAOYSA-N
Compound name
1-ethylcyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

112.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 120.7
[M+Na]+ 135.07803 127.2
[M-H]- 111.08153 124.6
[M+NH4]+ 130.12263 139.0
[M+K]+ 151.05197 129.6
[M+H-H2O]+ 95.086070 112.6
[M+HCOO]- 157.08701 143.1
[M+CH3COO]- 171.10266 172.6
[M+Na-2H]- 133.06348 128.4
[M]+ 112.08826 129.2
[M]- 112.08936 129.2
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