CID 15910561

2-methyl-5-propylcyclohex-2-en-1-one

Structural Information

Molecular Formula
C10H16O
SMILES
CCCC1CC=C(C(=O)C1)C
InChI
InChI=1S/C10H16O/c1-3-4-9-6-5-8(2)10(11)7-9/h5,9H,3-4,6-7H2,1-2H3
InChIKey
PGOHXVFJIXDZAH-UHFFFAOYSA-N
Compound name
2-methyl-5-propylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

152.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 132.4
[M+Na]+ 175.10934 139.5
[M-H]- 151.11284 135.9
[M+NH4]+ 170.15394 154.1
[M+K]+ 191.08328 137.9
[M+H-H2O]+ 135.11738 127.3
[M+HCOO]- 197.11832 154.2
[M+CH3COO]- 211.13397 178.5
[M+Na-2H]- 173.09479 136.9
[M]+ 152.11957 131.4
[M]- 152.12067 131.4
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