CID 22556

2-dodecanone

Structural Information

Molecular Formula
C12H24O
SMILES
CCCCCCCCCCC(=O)C
InChI
InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3
InChIKey
LSKONYYRONEBKA-UHFFFAOYSA-N
Compound name
dodecan-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

15
References

5401
Patents

184.18271 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.18999 148.4
[M+Na]+ 207.17193 153.2
[M-H]- 183.17543 147.7
[M+NH4]+ 202.21653 168.5
[M+K]+ 223.14587 151.8
[M+H-H2O]+ 167.17997 143.1
[M+HCOO]- 229.18091 169.7
[M+CH3COO]- 243.19656 187.4
[M+Na-2H]- 205.15738 151.1
[M]+ 184.18216 152.1
[M]- 184.18326 152.1
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