CID 161875

2-dodecylcyclobutanone

Structural Information

Molecular Formula
C16H30O
SMILES
CCCCCCCCCCCCC1CCC1=O
InChI
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16(15)17/h15H,2-14H2,1H3
InChIKey
VVKRFZDUZMLMQM-UHFFFAOYSA-N
Compound name
2-dodecylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

38
References

11
Patents

238.22966 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.23694 161.6
[M+Na]+ 261.21888 166.7
[M+NH4]+ 256.26348 165.2
[M+K]+ 277.19282 160.5
[M-H]- 237.22238 160.0
[M+Na-2H]- 259.20433 162.1
[M]+ 238.22911 160.6
[M]- 238.23021 160.6
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