CID 213002

1,3-propanediol, 2-heptyl-, dicarbamate

Structural Information

Molecular Formula
C12H24N2O4
SMILES
CCCCCCCC(COC(=O)N)COC(=O)N
InChI
InChI=1S/C12H24N2O4/c1-2-3-4-5-6-7-10(8-17-11(13)15)9-18-12(14)16/h10H,2-9H2,1H3,(H2,13,15)(H2,14,16)
InChIKey
HANIHLIGPMPSML-UHFFFAOYSA-N
Compound name
2-(carbamoyloxymethyl)nonyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1736 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.180876 164.9
[M+Na]+ 283.162818 167.7
[M-H]- 259.166324 163.1
[M+NH4]+ 278.207423 180.3
[M+K]+ 299.136758 167.4
[M+H-H2O]+ 243.170860 157.9
[M+HCOO]- 305.171801 185.8
[M+CH3COO]- 319.187451 201.5
[M+Na-2H]- 281.148266 163.3
[M]+ 260.17305142 166.9
[M]- 260.17414858 166.9
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.