CID 41440

11-decyldocosane

Structural Information

Molecular Formula
C32H66
SMILES
CCCCCCCCCCCC(CCCCCCCCCC)CCCCCCCCCC
InChI
InChI=1S/C32H66/c1-4-7-10-13-16-19-22-25-28-31-32(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h32H,4-31H2,1-3H3
InChIKey
ZTLKOYAJKRWSKL-UHFFFAOYSA-N
Compound name
11-decyldocosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

450.51645 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.523726 235.7
[M+Na]+ 473.505668 232.0
[M-H]- 449.509174 231.0
[M+NH4]+ 468.550273 236.0
[M+K]+ 489.479608 225.3
[M+H-H2O]+ 433.513710 226.6
[M+HCOO]- 495.514651 246.8
[M+CH3COO]- 509.530301 245.5
[M+Na-2H]- 471.491116 227.6
[M]+ 450.51590142 246.2
[M]- 450.51699858 246.2
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