CID 315768

29709-73-7

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC1OCC2C(O1)C(OC(O2)C)C3CN3
InChI
InChI=1S/C10H17NO4/c1-5-12-4-8-10(14-5)9(7-3-11-7)15-6(2)13-8/h5-11H,3-4H2,1-2H3
InChIKey
RFSALWUIQJLWHY-UHFFFAOYSA-N
Compound name
2-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.11575 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 153.2
[M+Na]+ 238.10497 161.3
[M-H]- 214.10847 160.9
[M+NH4]+ 233.14957 161.1
[M+K]+ 254.07891 163.3
[M+H-H2O]+ 198.11301 145.4
[M+HCOO]- 260.11395 164.0
[M+CH3COO]- 274.12960 164.3
[M+Na-2H]- 236.09042 159.2
[M]+ 215.11520 154.7
[M]- 215.11630 154.7
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.