CID 121499

3-oxetanemethylamine, n,n-dimethyl-3-((p-nitrophenoxy)methyl)-, maleate

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CN(C)CC1(COC1)COC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H18N2O4/c1-14(2)7-13(8-18-9-13)10-19-12-5-3-11(4-6-12)15(16)17/h3-6H,7-10H2,1-2H3
InChIKey
WKPLHFNBKFKTLZ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-[3-[(4-nitrophenoxy)methyl]oxetan-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 157.2
[M+Na]+ 289.115868 159.9
[M-H]- 265.119374 165.0
[M+NH4]+ 284.160473 166.8
[M+K]+ 305.089808 160.5
[M+H-H2O]+ 249.123910 148.7
[M+HCOO]- 311.124851 180.2
[M+CH3COO]- 325.140501 199.0
[M+Na-2H]- 287.101316 164.6
[M]+ 266.12610142 167.2
[M]- 266.12719858 167.2
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.