CID 213088

1,3-propanediol, 2-methyl-2-(2-propynyl)-, dicarbamate

Structural Information

Molecular Formula
C9H14N2O4
SMILES
CC(CC#C)(COC(=O)N)COC(=O)N
InChI
InChI=1S/C9H14N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h1H,4-6H2,2H3,(H2,10,12)(H2,11,13)
InChIKey
NJPNQDCWBKBBLC-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylpent-4-ynyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.09535 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.102626 150.6
[M+Na]+ 237.084568 157.3
[M-H]- 213.088074 149.0
[M+NH4]+ 232.129173 165.8
[M+K]+ 253.058508 157.3
[M+H-H2O]+ 197.092610 139.0
[M+HCOO]- 259.093551 166.4
[M+CH3COO]- 273.109201 197.3
[M+Na-2H]- 235.070016 151.8
[M]+ 214.09480142 145.5
[M]- 214.09589858 145.5
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