CID 14681534

2-triacontanone

Structural Information

Molecular Formula
C30H60O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C
InChI
InChI=1S/C30H60O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(2)31/h3-29H2,1-2H3
InChIKey
ISKFXOKNNWWGBM-UHFFFAOYSA-N
Compound name
triacontan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

436.46442 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.47170 228.6
[M+Na]+ 459.45364 225.9
[M-H]- 435.45714 224.3
[M+NH4]+ 454.49824 228.4
[M+K]+ 475.42758 219.7
[M+H-H2O]+ 419.46168 219.7
[M+HCOO]- 481.46262 239.8
[M+CH3COO]- 495.47827 240.6
[M+Na-2H]- 457.43909 221.6
[M]+ 436.46387 239.1
[M]- 436.46497 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

patents stripe