CID 21958129

Dtxsid501211178

Structural Information

Molecular Formula
C15H26O3
SMILES
CC(=C)C(=O)OCCCCCCCCCC1CO1
InChI
InChI=1S/C15H26O3/c1-13(2)15(16)17-11-9-7-5-3-4-6-8-10-14-12-18-14/h14H,1,3-12H2,2H3
InChIKey
DGZNXJPBIXMBJR-UHFFFAOYSA-N
Compound name
9-(oxiran-2-yl)nonyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

460
Patents

254.1882 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.19548 164.3
[M+Na]+ 277.17742 170.1
[M-H]- 253.18092 168.4
[M+NH4]+ 272.22202 175.5
[M+K]+ 293.15136 168.2
[M+H-H2O]+ 237.18546 157.0
[M+HCOO]- 299.18640 183.8
[M+CH3COO]- 313.20205 200.3
[M+Na-2H]- 275.16287 166.0
[M]+ 254.18765 172.3
[M]- 254.18875 172.3
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