CID 76472

Carbamic acid, 1,6-hexanediylbis-, diethyl ester

Structural Information

Molecular Formula
C12H24N2O4
SMILES
CCOC(=O)NCCCCCCNC(=O)OCC
InChI
InChI=1S/C12H24N2O4/c1-3-17-11(15)13-9-7-5-6-8-10-14-12(16)18-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKey
FWKGEANWQNXYRM-UHFFFAOYSA-N
Compound name
ethyl N-[6-(ethoxycarbonylamino)hexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

552
Patents

260.1736 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18088 164.0
[M+Na]+ 283.16282 167.2
[M-H]- 259.16632 163.3
[M+NH4]+ 278.20742 180.2
[M+K]+ 299.13676 167.1
[M+H-H2O]+ 243.17086 157.0
[M+HCOO]- 305.17180 187.3
[M+CH3COO]- 319.18745 200.4
[M+Na-2H]- 281.14827 165.9
[M]+ 260.17305 168.6
[M]- 260.17415 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe