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]+ 247.12885 155.3
[M+Na]+ 269.11079 159.7
[M-H]- 245.11429 158.0
[M+NH4]+ 264.15539 173.0
[M+K]+ 285.08473 163.3
[M+H-H2O]+ 229.11883 148.5
[M+HCOO]- 291.11977 179.7
[M+CH3COO]- 305.13542 204.7
[M+Na-2H]- 267.09624 155.9
[M]+ 246.12102 162.1
[M]- 246.12212 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.