CID 5205065

N,n'-hexamethylenebis(isopropyl carbamate)

Structural Information

Molecular Formula
C14H28N2O4
SMILES
CC(C)OC(=O)NCCCCCCNC(=O)OC(C)C
InChI
InChI=1S/C14H28N2O4/c1-11(2)19-13(17)15-9-7-5-6-8-10-16-14(18)20-12(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)
InChIKey
NZPGYDNGMYNZPZ-UHFFFAOYSA-N
Compound name
propan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.2049 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21218 174.6
[M+Na]+ 311.19412 176.5
[M-H]- 287.19762 173.7
[M+NH4]+ 306.23872 189.5
[M+K]+ 327.16806 177.1
[M+H-H2O]+ 271.20216 167.5
[M+HCOO]- 333.20310 195.2
[M+CH3COO]- 347.21875 208.1
[M+Na-2H]- 309.17957 172.9
[M]+ 288.20435 178.7
[M]- 288.20545 178.7
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

patents stripe