CID 213088

Brn 1875733

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]+ 215.10263 150.6
[M+Na]+ 237.08457 157.3
[M-H]- 213.08807 149.0
[M+NH4]+ 232.12917 165.8
[M+K]+ 253.05851 157.3
[M+H-H2O]+ 197.09261 139.0
[M+HCOO]- 259.09355 166.4
[M+CH3COO]- 273.10920 197.3
[M+Na-2H]- 235.07002 151.8
[M]+ 214.09480 145.5
[M]- 214.09590 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