CID 11073371

5,5-dimethylcyclopent-2-en-1-one

Structural Information

Molecular Formula
C7H10O
SMILES
CC1(CC=CC1=O)C
InChI
InChI=1S/C7H10O/c1-7(2)5-3-4-6(7)8/h3-4H,5H2,1-2H3
InChIKey
OUDVKHIZRZRHGO-UHFFFAOYSA-N
Compound name
5,5-dimethylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

110.073166 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 118.9
[M+Na]+ 133.06238 128.2
[M-H]- 109.06589 123.2
[M+NH4]+ 128.10699 145.8
[M+K]+ 149.03632 127.4
[M+H-H2O]+ 93.070426 115.3
[M+HCOO]- 155.07137 143.9
[M+CH3COO]- 169.08702 167.6
[M+Na-2H]- 131.04783 125.6
[M]+ 110.07262 118.8
[M]- 110.07371 118.8
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