CID 117202

25384-80-9

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]+ 257.149576 162.0
[M+Na]+ 279.131518 167.7
[M-H]- 255.135024 160.4
[M+NH4]+ 274.176123 176.1
[M+K]+ 295.105458 167.3
[M+H-H2O]+ 239.139560 150.0
[M+HCOO]- 301.140501 177.6
[M+CH3COO]- 315.156151 205.3
[M+Na-2H]- 277.116966 162.9
[M]+ 256.14175142 158.8
[M]- 256.14284858 158.8
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

No patent data available for this compound.