CID 117202

2-[(carbamoyloxy)methyl]-2-methylpentyl prop-2-yn-1-ylcarbamate

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CCCC(C)(COC(=O)N)COC(=O)NCC#C
InChI
InChI=1S/C12H20N2O4/c1-4-6-12(3,8-17-10(13)15)9-18-11(16)14-7-5-2/h2H,4,6-9H2,1,3H3,(H2,13,15)(H,14,16)
InChIKey
NUXWIIFYEUCZKQ-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylpentyl] N-prop-2-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 160.0
[M+Na]+ 279.13152 165.2
[M+NH4]+ 274.17612 160.6
[M+K]+ 295.10546 159.6
[M-H]- 255.13502 149.3
[M+Na-2H]- 277.11697 157.2
[M]+ 256.14175 156.3
[M]- 256.14285 156.3
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.