CID 6450374

(e)-2-((3-tetradecen-13-ynyl)oxy)tetrahydro-2h-pyran

Structural Information

Molecular Formula
C19H32O2
SMILES
C#CCCCCCCCC/C=C/CCO[C@@H]1CCCCO1
InChI
InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-19-16-13-15-18-21-19/h1,11-12,19H,3-10,13-18H2/b12-11+/t19-/m0/s1
InChIKey
MLGQKYWYAWYJHY-CVTTXWKISA-N
Compound name
(2R)-2-[(E)-tetradec-3-en-13-ynoxy]oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.24023 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.247506 168.0
[M+Na]+ 315.229448 172.3
[M-H]- 291.232954 168.4
[M+NH4]+ 310.274053 180.5
[M+K]+ 331.203388 167.6
[M+H-H2O]+ 275.237490 154.9
[M+HCOO]- 337.238431 180.0
[M+CH3COO]- 351.254081 209.2
[M+Na-2H]- 313.214896 169.2
[M]+ 292.23968142 164.2
[M]- 292.24077858 164.2
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.