CID 31767

Nisobamate

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CCC(C)C(C)(COC(=O)N)COC(=O)NC(C)C
InChI
InChI=1S/C13H26N2O4/c1-6-10(4)13(5,7-18-11(14)16)8-19-12(17)15-9(2)3/h9-10H,6-8H2,1-5H3,(H2,14,16)(H,15,17)
InChIKey
CBDPCXYQNVDTMW-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3283
Patents

274.18927 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.196546 168.5
[M+Na]+ 297.178488 171.3
[M-H]- 273.181994 167.6
[M+NH4]+ 292.223093 183.8
[M+K]+ 313.152428 172.2
[M+H-H2O]+ 257.186530 162.4
[M+HCOO]- 319.187471 187.3
[M+CH3COO]- 333.203121 205.6
[M+Na-2H]- 295.163936 167.4
[M]+ 274.18872142 170.8
[M]- 274.18981858 170.8
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