CID 117190

2-ethyl-2-methyl-1,3-propanediol carbamate methylcarbamate

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CCC(C)(COC(=O)N)COC(=O)NC
InChI
InChI=1S/C9H18N2O4/c1-4-9(2,5-14-7(10)12)6-15-8(13)11-3/h4-6H2,1-3H3,(H2,10,12)(H,11,13)
InChIKey
IPMKEQXUUSDMIW-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylbutyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.12666 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13394 150.1
[M+Na]+ 241.11588 154.9
[M-H]- 217.11938 149.6
[M+NH4]+ 236.16048 167.7
[M+K]+ 257.08982 155.6
[M+H-H2O]+ 201.12392 144.4
[M+HCOO]- 263.12486 172.1
[M+CH3COO]- 277.14051 191.7
[M+Na-2H]- 239.10133 153.4
[M]+ 218.12611 152.1
[M]- 218.12721 152.1
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.