CID 131750997

2-nonylhenicosanal

Structural Information

Molecular Formula
C30H60O
SMILES
CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)C=O
InChI
InChI=1S/C30H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-30(29-31)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3
InChIKey
GRJPJDFTUFOKDN-UHFFFAOYSA-N
Compound name
2-nonylhenicosanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.46442 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.471696 228.6
[M+Na]+ 459.453638 225.9
[M-H]- 435.457144 224.3
[M+NH4]+ 454.498243 228.4
[M+K]+ 475.427578 219.7
[M+H-H2O]+ 419.461680 219.7
[M+HCOO]- 481.462621 239.8
[M+CH3COO]- 495.478271 240.6
[M+Na-2H]- 457.439086 221.6
[M]+ 436.46387142 239.1
[M]- 436.46496858 239.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.