CID 121499

H.c. 6028

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]+ 267.13393 160.9
[M+Na]+ 289.11587 167.6
[M+NH4]+ 284.16047 165.5
[M+K]+ 305.08981 165.2
[M-H]- 265.11937 163.8
[M+Na-2H]- 287.10132 165.4
[M]+ 266.12610 161.4
[M]- 266.12720 161.4
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.