CID 213077

1,3-propanediol, 2-isopentyl-, dicarbamate

Structural Information

Molecular Formula
C10H20N2O4
SMILES
CC(C)CCC(COC(=O)N)COC(=O)N
InChI
InChI=1S/C10H20N2O4/c1-7(2)3-4-8(5-15-9(11)13)6-16-10(12)14/h7-8H,3-6H2,1-2H3,(H2,11,13)(H2,12,14)
InChIKey
DOJDFJNRVHUVFC-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-5-methylhexyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.149576 156.5
[M+Na]+ 255.131518 159.9
[M-H]- 231.135024 155.2
[M+NH4]+ 250.176123 172.9
[M+K]+ 271.105458 160.7
[M+H-H2O]+ 215.139560 150.0
[M+HCOO]- 277.140501 177.1
[M+CH3COO]- 291.156151 196.4
[M+Na-2H]- 253.116966 154.7
[M]+ 232.14175142 157.1
[M]- 232.14284858 157.1
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.