CID 79817

2-cyclopenten-1-one, 2-methyl-3-pentyl-

Structural Information

Molecular Formula
C11H18O
SMILES
CCCCCC1=C(C(=O)CC1)C
InChI
InChI=1S/C11H18O/c1-3-4-5-6-10-7-8-11(12)9(10)2/h3-8H2,1-2H3
InChIKey
NEZHCMOOOIHCJA-UHFFFAOYSA-N
Compound name
2-methyl-3-pentylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

166.13577 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 138.1
[M+Na]+ 189.12499 145.8
[M-H]- 165.12849 141.6
[M+NH4]+ 184.16959 161.1
[M+K]+ 205.09893 143.7
[M+H-H2O]+ 149.13303 133.2
[M+HCOO]- 211.13397 161.7
[M+CH3COO]- 225.14962 181.3
[M+Na-2H]- 187.11044 140.7
[M]+ 166.13522 139.5
[M]- 166.13632 139.5
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