CID 117499

2-sec-butyl-1,3-propanediol dicarbamate

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CCC(C)C(COC(=O)N)COC(=O)N
InChI
InChI=1S/C9H18N2O4/c1-3-6(2)7(4-14-8(10)12)5-15-9(11)13/h6-7H,3-5H2,1-2H3,(H2,10,12)(H2,11,13)
InChIKey
IHXNRXNBUPOFAS-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-3-methylpentyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.12666 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13394 150.9
[M+Na]+ 241.11588 155.4
[M+NH4]+ 236.16048 154.9
[M+K]+ 257.08982 154.3
[M-H]- 217.11938 147.9
[M+Na-2H]- 239.10133 150.0
[M]+ 218.12611 149.8
[M]- 218.12721 149.8
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