CID 213165

Dimethylcarbamic acid 2-(hydroxymethyl)butyl ester carbamate (ester)

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CCC(COC(=O)N)COC(=O)N(C)C
InChI
InChI=1S/C9H18N2O4/c1-4-7(5-14-8(10)12)6-15-9(13)11(2)3/h7H,4-6H2,1-3H3,(H2,10,12)
InChIKey
TWWOBESSFAFJFD-UHFFFAOYSA-N
Compound name
2-(carbamoyloxymethyl)butyl N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.12666 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13394 151.3
[M+Na]+ 241.11588 155.6
[M-H]- 217.11938 152.1
[M+NH4]+ 236.16048 169.4
[M+K]+ 257.08982 157.9
[M+H-H2O]+ 201.12392 144.8
[M+HCOO]- 263.12486 174.4
[M+CH3COO]- 277.14051 195.8
[M+Na-2H]- 239.10133 151.6
[M]+ 218.12611 154.4
[M]- 218.12721 154.4
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.