CID 213186

Brn 3061281

Structural Information

Molecular Formula
C13H26N2O6
SMILES
CC(C)C(C(C)COC(=O)NCOC)OC(=O)NCOC
InChI
InChI=1S/C13H26N2O6/c1-9(2)11(21-13(17)15-8-19-5)10(3)6-20-12(16)14-7-18-4/h9-11H,6-8H2,1-5H3,(H,14,16)(H,15,17)
InChIKey
WFEQMMMFROHLFX-UHFFFAOYSA-N
Compound name
[3-(methoxymethylcarbamoyloxy)-2,4-dimethylpentyl] N-(methoxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17908 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18636 174.4
[M+Na]+ 329.16830 176.2
[M-H]- 305.17180 173.6
[M+NH4]+ 324.21290 188.3
[M+K]+ 345.14224 178.8
[M+H-H2O]+ 289.17634 167.1
[M+HCOO]- 351.17728 194.8
[M+CH3COO]- 365.19293 210.3
[M+Na-2H]- 327.15375 172.3
[M]+ 306.17853 180.3
[M]- 306.17963 180.3
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

No patent data available for this compound.