CID 3023471

1,1-diethoxytridec-2-yne

Structural Information

Molecular Formula
C17H32O2
SMILES
CCCCCCCCCCC#CC(OCC)OCC
InChI
InChI=1S/C17H32O2/c1-4-7-8-9-10-11-12-13-14-15-16-17(18-5-2)19-6-3/h17H,4-14H2,1-3H3
InChIKey
HSPGCSUUJFSCEK-UHFFFAOYSA-N
Compound name
1,1-diethoxytridec-2-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.24023 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.247506 164.0
[M+Na]+ 291.229448 169.7
[M-H]- 267.232954 162.3
[M+NH4]+ 286.274053 179.2
[M+K]+ 307.203388 166.8
[M+H-H2O]+ 251.237490 152.0
[M+HCOO]- 313.238431 178.9
[M+CH3COO]- 327.254081 208.0
[M+Na-2H]- 289.214896 164.5
[M]+ 268.23968142 165.3
[M]- 268.24077858 165.3
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