CID 3020026

2-undecyne, 1,1-diethoxy-

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCCCCCC#CC(OCC)OCC
InChI
InChI=1S/C15H28O2/c1-4-7-8-9-10-11-12-13-14-15(16-5-2)17-6-3/h15H,4-12H2,1-3H3
InChIKey
GRXUBRIOJWCPQL-UHFFFAOYSA-N
Compound name
1,1-diethoxyundec-2-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 156.2
[M+Na]+ 263.19814 162.6
[M-H]- 239.20164 154.8
[M+NH4]+ 258.24274 172.4
[M+K]+ 279.17208 160.2
[M+H-H2O]+ 223.20618 144.5
[M+HCOO]- 285.20712 171.7
[M+CH3COO]- 299.22277 202.7
[M+Na-2H]- 261.18359 157.6
[M]+ 240.20837 156.7
[M]- 240.20947 156.7
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

No patent data available for this compound.