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

37
Patents

164.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 134.7
[M+Na]+ 187.10934 143.3
[M-H]- 163.11284 138.8
[M+NH4]+ 182.15394 159.7
[M+K]+ 203.08328 141.3
[M+H-H2O]+ 147.11738 131.0
[M+HCOO]- 209.11832 157.5
[M+CH3COO]- 223.13397 180.8
[M+Na-2H]- 185.09479 137.5
[M]+ 164.11957 135.1
[M]- 164.12067 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