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

435
Patents

254.1882 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.195476 164.3
[M+Na]+ 277.177418 170.1
[M-H]- 253.180924 168.4
[M+NH4]+ 272.222023 175.5
[M+K]+ 293.151358 168.2
[M+H-H2O]+ 237.185460 157.0
[M+HCOO]- 299.186401 183.8
[M+CH3COO]- 313.202051 200.3
[M+Na-2H]- 275.162866 166.0
[M]+ 254.18765142 172.3
[M]- 254.18874858 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