CID 6441644

84989-41-3

Structural Information

Molecular Formula
C32H60O2
SMILES
CCCCCCCCCCCCCC/C=C\1/C(C(=O)O1)CCCCCCCCCCCCCC
InChI
InChI=1S/C32H60O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30(32(33)34-31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3/b31-29-
InChIKey
BKSVJFGDPOUPBY-YCNYHXFESA-N
Compound name
(4Z)-4-pentadecylidene-3-tetradecyloxetan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

476.45932 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.46660 234.4
[M+Na]+ 499.44854 231.4
[M-H]- 475.45204 234.0
[M+NH4]+ 494.49314 235.2
[M+K]+ 515.42248 228.3
[M+H-H2O]+ 459.45658 220.1
[M+HCOO]- 521.45752 247.6
[M+CH3COO]- 535.47317 247.7
[M+Na-2H]- 497.43399 227.0
[M]+ 476.45877 253.1
[M]- 476.45987 253.1
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