CID 44150495

94201-29-3

Structural Information

Molecular Formula
C12H20O
SMILES
CC1CC(C(=C1)CC(C)C=O)(C)C
InChI
InChI=1S/C12H20O/c1-9-5-11(6-10(2)8-13)12(3,4)7-9/h5,8-10H,6-7H2,1-4H3
InChIKey
XEDQNLKJECJKGT-UHFFFAOYSA-N
Compound name
2-methyl-3-(3,5,5-trimethylcyclopenten-1-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 140.9
[M+Na]+ 203.140628 148.8
[M-H]- 179.144134 144.7
[M+NH4]+ 198.185233 165.3
[M+K]+ 219.114568 147.1
[M+H-H2O]+ 163.148670 136.9
[M+HCOO]- 225.149611 163.2
[M+CH3COO]- 239.165261 184.7
[M+Na-2H]- 201.126076 143.1
[M]+ 180.15086142 142.3
[M]- 180.15195858 142.3
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.