CID 87842016

11-(butoxymethyl)tricosane

Structural Information

Molecular Formula
C28H58O
SMILES
CCCCCCCCCCCCC(CCCCCCCCCC)COCCCC
InChI
InChI=1S/C28H58O/c1-4-7-10-12-14-16-17-19-21-23-25-28(27-29-26-9-6-3)24-22-20-18-15-13-11-8-5-2/h28H,4-27H2,1-3H3
InChIKey
RQOQEFHIINOYMA-UHFFFAOYSA-N
Compound name
11-(butoxymethyl)tricosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

410.44876 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.45604 221.9
[M+Na]+ 433.43798 219.8
[M-H]- 409.44148 217.9
[M+NH4]+ 428.48258 224.0
[M+K]+ 449.41192 214.6
[M+H-H2O]+ 393.44602 213.3
[M+HCOO]- 455.44696 237.5
[M+CH3COO]- 469.46261 235.6
[M+Na-2H]- 431.42343 215.9
[M]+ 410.44821 232.3
[M]- 410.44931 232.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe