CID 91675

N-nitrosobis(2-acetoxypropyl)amine

Structural Information

Molecular Formula
C10H18N2O5
SMILES
CC(CN(CC(C)OC(=O)C)N=O)OC(=O)C
InChI
InChI=1S/C10H18N2O5/c1-7(16-9(3)13)5-12(11-15)6-8(2)17-10(4)14/h7-8H,5-6H2,1-4H3
InChIKey
VGURJTTWZISZJM-UHFFFAOYSA-N
Compound name
1-[2-acetyloxypropyl(nitroso)amino]propan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

246.12157 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.128846 155.3
[M+Na]+ 269.110788 159.7
[M-H]- 245.114294 158.0
[M+NH4]+ 264.155393 173.0
[M+K]+ 285.084728 163.3
[M+H-H2O]+ 229.118830 148.5
[M+HCOO]- 291.119771 179.7
[M+CH3COO]- 305.135421 204.7
[M+Na-2H]- 267.096236 155.9
[M]+ 246.12102142 162.1
[M]- 246.12211858 162.1
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

No patent data available for this compound.