CID 14058700

2-methyl-3-nonacosanone

Structural Information

Molecular Formula
C30H60O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C(C)C
InChI
InChI=1S/C30H60O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30(31)29(2)3/h29H,4-28H2,1-3H3
InChIKey
HWDHIBLILCSTPN-UHFFFAOYSA-N
Compound name
2-methylnonacosan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.46442 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.471696 229.8
[M+Na]+ 459.453638 226.9
[M-H]- 435.457144 225.5
[M+NH4]+ 454.498243 229.4
[M+K]+ 475.427578 221.1
[M+H-H2O]+ 419.461680 221.0
[M+HCOO]- 481.462621 236.8
[M+CH3COO]- 495.478271 241.3
[M+Na-2H]- 457.439086 221.5
[M]+ 436.46387142 239.6
[M]- 436.46496858 239.6
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

No patent data available for this compound.