CID 57375910

2228-95-7

Structural Information

Molecular Formula
C11H18O
SMILES
CC(C)C(=C)C1(CCCC1)C=O
InChI
InChI=1S/C11H18O/c1-9(2)10(3)11(8-12)6-4-5-7-11/h8-9H,3-7H2,1-2H3
InChIKey
QINMOIQXMUWXQC-UHFFFAOYSA-N
Compound name
1-(3-methylbut-1-en-2-yl)cyclopentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 140.4
[M+Na]+ 189.12499 145.8
[M-H]- 165.12849 143.3
[M+NH4]+ 184.16959 164.4
[M+K]+ 205.09893 144.4
[M+H-H2O]+ 149.13303 136.1
[M+HCOO]- 211.13397 160.7
[M+CH3COO]- 225.14962 179.8
[M+Na-2H]- 187.11044 141.9
[M]+ 166.13522 137.8
[M]- 166.13632 137.8
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

No patent data available for this compound.