CID 117194

25384-72-9

Structural Information

Molecular Formula
C11H18N2O4
SMILES
CCC(C)(COC(=O)N)COC(=O)NCC#C
InChI
InChI=1S/C11H18N2O4/c1-4-6-13-10(15)17-8-11(3,5-2)7-16-9(12)14/h1H,5-8H2,2-3H3,(H2,12,14)(H,13,15)
InChIKey
ZBIWEHXTTKECOE-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylbutyl] N-prop-2-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12666 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13394 156.1
[M+Na]+ 265.11588 161.5
[M+NH4]+ 260.16048 156.8
[M+K]+ 281.08982 156.2
[M-H]- 241.11938 145.5
[M+Na-2H]- 263.10133 153.6
[M]+ 242.12611 152.4
[M]- 242.12721 152.4
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.