CID 20590

1-(2,2,3-trimethylcyclopent-3-en-1-yl)ethanone

Structural Information

Molecular Formula
C10H16O
SMILES
CC1=CCC(C1(C)C)C(=O)C
InChI
InChI=1S/C10H16O/c1-7-5-6-9(8(2)11)10(7,3)4/h5,9H,6H2,1-4H3
InChIKey
YXGUBJPWGFKWQA-UHFFFAOYSA-N
Compound name
1-(2,2,3-trimethylcyclopent-3-en-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

152.12012 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 131.5
[M+Na]+ 175.109338 140.3
[M-H]- 151.112844 135.7
[M+NH4]+ 170.153943 157.0
[M+K]+ 191.083278 139.1
[M+H-H2O]+ 135.117380 127.9
[M+HCOO]- 197.118321 154.5
[M+CH3COO]- 211.133971 178.7
[M+Na-2H]- 173.094786 134.8
[M]+ 152.11957142 132.2
[M]- 152.12066858 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe