CID 117502

Brn 2971588

Structural Information

Molecular Formula
C11H22N2O4
SMILES
CC(C)C(COC(=O)N)(COC(=O)N)C(C)C
InChI
InChI=1S/C11H22N2O4/c1-7(2)11(8(3)4,5-16-9(12)14)6-17-10(13)15/h7-8H,5-6H2,1-4H3,(H2,12,14)(H2,13,15)
InChIKey
AAOQURPCQWSPJM-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-3-methyl-2-propan-2-ylbutyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

246.15796 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16524 159.4
[M+Na]+ 269.14718 162.9
[M-H]- 245.15068 158.3
[M+NH4]+ 264.19178 175.5
[M+K]+ 285.12112 164.0
[M+H-H2O]+ 229.15522 153.7
[M+HCOO]- 291.15616 178.3
[M+CH3COO]- 305.17181 199.8
[M+Na-2H]- 267.13263 158.2
[M]+ 246.15741 160.0
[M]- 246.15851 160.0
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