CID 20235402

2-(2,2,3-trimethylcyclopent-3-en-1-yl)prop-2-enal

Structural Information

Molecular Formula
C11H16O
SMILES
CC1=CCC(C1(C)C)C(=C)C=O
InChI
InChI=1S/C11H16O/c1-8(7-12)10-6-5-9(2)11(10,3)4/h5,7,10H,1,6H2,2-4H3
InChIKey
JCZADWGNQITWFH-UHFFFAOYSA-N
Compound name
2-(2,2,3-trimethylcyclopent-3-en-1-yl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

164.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 134.7
[M+Na]+ 187.109338 143.3
[M-H]- 163.112844 138.8
[M+NH4]+ 182.153943 159.7
[M+K]+ 203.083278 141.3
[M+H-H2O]+ 147.117380 131.0
[M+HCOO]- 209.118321 157.5
[M+CH3COO]- 223.133971 180.8
[M+Na-2H]- 185.094786 137.5
[M]+ 164.11957142 135.1
[M]- 164.12066858 135.1
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