CID 91692473

Ahamrtrakunzmp-uhfffaoysa-n

Structural Information

Molecular Formula
C27H50O2
SMILES
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC#C
InChI
InChI=1S/C27H50O2/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-29-27(28)25-23-21-19-12-10-8-6-4-2/h2H,3,5-26H2,1H3
InChIKey
AHAMRTRAKUNZMP-UHFFFAOYSA-N
Compound name
hexadecyl undec-10-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.38107 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.388346 201.3
[M+Na]+ 429.370288 203.4
[M-H]- 405.373794 197.9
[M+NH4]+ 424.414893 211.3
[M+K]+ 445.344228 197.6
[M+H-H2O]+ 389.378330 187.7
[M+HCOO]- 451.379271 213.4
[M+CH3COO]- 465.394921 234.1
[M+Na-2H]- 427.355736 197.2
[M]+ 406.38052142 205.4
[M]- 406.38161858 205.4
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

No patent data available for this compound.