CID 91719792

Ozbiaargfsxapo-uhfffaoysa-n

Structural Information

Molecular Formula
C22H32O4
SMILES
CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCC(=C)C
InChI
InChI=1S/C22H32O4/c1-4-5-6-7-8-9-12-16-25-21(23)19-13-10-11-14-20(19)22(24)26-17-15-18(2)3/h10-11,13-14H,2,4-9,12,15-17H2,1,3H3
InChIKey
OZBIAARGFSXAPO-UHFFFAOYSA-N
Compound name
2-O-(3-methylbut-3-enyl) 1-O-nonyl benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.23007 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.237346 192.8
[M+Na]+ 383.219288 195.6
[M-H]- 359.222794 194.5
[M+NH4]+ 378.263893 205.2
[M+K]+ 399.193228 192.4
[M+H-H2O]+ 343.227330 184.7
[M+HCOO]- 405.228271 211.4
[M+CH3COO]- 419.243921 218.0
[M+Na-2H]- 381.204736 189.7
[M]+ 360.22952142 199.4
[M]- 360.23061858 199.4
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.