CID 15942012

1,4-bis((prop-2-yn-1-yloxy)methyl)benzene

Structural Information

Molecular Formula
C14H14O2
SMILES
C#CCOCC1=CC=C(C=C1)COCC#C
InChI
InChI=1S/C14H14O2/c1-3-9-15-11-13-5-7-14(8-6-13)12-16-10-4-2/h1-2,5-8H,9-12H2
InChIKey
VEYMNVPOTNORQL-UHFFFAOYSA-N
Compound name
1,4-bis(prop-2-ynoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

214.09938 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.106656 155.1
[M+Na]+ 237.088598 165.3
[M-H]- 213.092104 157.1
[M+NH4]+ 232.133203 167.4
[M+K]+ 253.062538 159.9
[M+H-H2O]+ 197.096640 140.9
[M+HCOO]- 259.097581 165.1
[M+CH3COO]- 273.113231 212.8
[M+Na-2H]- 235.074046 156.8
[M]+ 214.09883142 149.1
[M]- 214.09992858 149.1
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