CID 41092

2,3,4,5-tetramethyl-2-cyclopentenone

Structural Information

Molecular Formula
C9H14O
SMILES
CC1C(C(=O)C(=C1C)C)C
InChI
InChI=1S/C9H14O/c1-5-6(2)8(4)9(10)7(5)3/h5,7H,1-4H3
InChIKey
ARUAYSANQMCCEN-UHFFFAOYSA-N
Compound name
2,3,4,5-tetramethylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

178
Patents

138.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 126.2
[M+Na]+ 161.09368 136.6
[M-H]- 137.09718 130.9
[M+NH4]+ 156.13828 150.9
[M+K]+ 177.06762 135.1
[M+H-H2O]+ 121.10172 122.4
[M+HCOO]- 183.10266 150.4
[M+CH3COO]- 197.11831 177.6
[M+Na-2H]- 159.07913 128.8
[M]+ 138.10391 127.7
[M]- 138.10501 127.7
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