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

90
Patents

112.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.096086 120.7
[M+Na]+ 135.078028 127.2
[M-H]- 111.081534 124.6
[M+NH4]+ 130.122633 139.0
[M+K]+ 151.051968 129.6
[M+H-H2O]+ 95.086070 112.6
[M+HCOO]- 157.087011 143.1
[M+CH3COO]- 171.102661 172.6
[M+Na-2H]- 133.063476 128.4
[M]+ 112.08826142 129.2
[M]- 112.08935858 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