CID 6423427

Phthalic acid, cyclobutyl decyl ester

Structural Information

Molecular Formula
C22H32O4
SMILES
CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC2CCC2
InChI
InChI=1S/C22H32O4/c1-2-3-4-5-6-7-8-11-17-25-21(23)19-15-9-10-16-20(19)22(24)26-18-13-12-14-18/h9-10,15-16,18H,2-8,11-14,17H2,1H3
InChIKey
NAVAZLSRWWYBTB-UHFFFAOYSA-N
Compound name
2-O-cyclobutyl 1-O-decyl benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.23007 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.237346 190.6
[M+Na]+ 383.219288 191.3
[M-H]- 359.222794 195.0
[M+NH4]+ 378.263893 196.3
[M+K]+ 399.193228 191.6
[M+H-H2O]+ 343.227330 176.5
[M+HCOO]- 405.228271 208.1
[M+CH3COO]- 419.243921 218.5
[M+Na-2H]- 381.204736 188.2
[M]+ 360.22952142 203.8
[M]- 360.23061858 203.8
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.