CID 3016543

1-(4-methylphenyl)dodecan-1-one

Structural Information

Molecular Formula
C19H30O
SMILES
CCCCCCCCCCCC(=O)C1=CC=C(C=C1)C
InChI
InChI=1S/C19H30O/c1-3-4-5-6-7-8-9-10-11-12-19(20)18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3
InChIKey
LDOWFDQKDRZLSJ-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)dodecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

274.22968 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.236956 171.9
[M+Na]+ 297.218898 176.0
[M-H]- 273.222404 174.0
[M+NH4]+ 292.263503 188.3
[M+K]+ 313.192838 172.0
[M+H-H2O]+ 257.226940 164.6
[M+HCOO]- 319.227881 192.5
[M+CH3COO]- 333.243531 204.6
[M+Na-2H]- 295.204346 172.7
[M]+ 274.22913142 175.9
[M]- 274.23022858 175.9
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