CID 40323

1,2:4,5:9,10-triepoxydecane

Structural Information

Molecular Formula
C10H16O3
SMILES
C1C(O1)CCCC2C(O2)CC3CO3
InChI
InChI=1S/C10H16O3/c1(2-7-5-11-7)3-9-10(13-9)4-8-6-12-8/h7-10H,1-6H2
InChIKey
HMEICDIGPORGFI-UHFFFAOYSA-N
Compound name
2-(oxiran-2-ylmethyl)-3-[3-(oxiran-2-yl)propyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

184.10994 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 163.7
[M+Na]+ 207.09916 167.5
[M-H]- 183.10266 172.8
[M+NH4]+ 202.14376 163.4
[M+K]+ 223.07310 171.7
[M+H-H2O]+ 167.10720 157.0
[M+HCOO]- 229.10814 176.0
[M+CH3COO]- 243.12379 207.6
[M+Na-2H]- 205.08461 165.3
[M]+ 184.10939 170.8
[M]- 184.11049 170.8
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

patents stripe