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]+ 215.10666 155.1
[M+Na]+ 237.08860 165.3
[M-H]- 213.09210 157.1
[M+NH4]+ 232.13320 167.4
[M+K]+ 253.06254 159.9
[M+H-H2O]+ 197.09664 140.9
[M+HCOO]- 259.09758 165.1
[M+CH3COO]- 273.11323 212.8
[M+Na-2H]- 235.07405 156.8
[M]+ 214.09883 149.1
[M]- 214.09993 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