CID 6437393

Einecs 259-285-7

Structural Information

Molecular Formula
C19H32O2
SMILES
CC/C=C/C#CCCCCCCCCOC1CCCCO1
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/h3-4,19H,2,7-18H2,1H3/b4-3+
InChIKey
BUOGADDGOQWWDH-ONEGZZNKSA-N
Compound name
2-[(E)-tetradec-11-en-9-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]+ 293.24751 168.8
[M+Na]+ 315.22945 173.2
[M-H]- 291.23295 169.2
[M+NH4]+ 310.27405 181.4
[M+K]+ 331.20339 168.5
[M+H-H2O]+ 275.23749 155.7
[M+HCOO]- 337.23843 180.8
[M+CH3COO]- 351.25408 208.0
[M+Na-2H]- 313.21490 169.9
[M]+ 292.23968 164.8
[M]- 292.24078 164.8
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.