CID 117512

1,3-propanediol, 2-tert-butyl-2-methyl-, dicarbamate

Structural Information

Molecular Formula
C10H20N2O4
SMILES
CC(C)(C)C(C)(COC(=O)N)COC(=O)N
InChI
InChI=1S/C10H20N2O4/c1-9(2,3)10(4,5-15-7(11)13)6-16-8(12)14/h5-6H2,1-4H3,(H2,11,13)(H2,12,14)
InChIKey
HHWIYDYWDGAKSP-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2,3,3-trimethylbutyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.14958 153.7
[M+Na]+ 255.13152 158.5
[M-H]- 231.13502 152.9
[M+NH4]+ 250.17612 170.6
[M+K]+ 271.10546 159.2
[M+H-H2O]+ 215.13956 148.6
[M+HCOO]- 277.14050 173.2
[M+CH3COO]- 291.15615 194.6
[M+Na-2H]- 253.11697 156.5
[M]+ 232.14175 154.6
[M]- 232.14285 154.6
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.