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

18
Patents

152.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 132.4
[M+Na]+ 175.109338 139.5
[M-H]- 151.112844 135.9
[M+NH4]+ 170.153943 154.1
[M+K]+ 191.083278 137.9
[M+H-H2O]+ 135.117380 127.3
[M+HCOO]- 197.118321 154.2
[M+CH3COO]- 211.133971 178.5
[M+Na-2H]- 173.094786 136.9
[M]+ 152.11957142 131.4
[M]- 152.12066858 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