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 157.2
[M+Na]+ 289.11587 159.9
[M-H]- 265.11937 165.0
[M+NH4]+ 284.16047 166.8
[M+K]+ 305.08981 160.5
[M+H-H2O]+ 249.12391 148.7
[M+HCOO]- 311.12485 180.2
[M+CH3COO]- 325.14050 199.0
[M+Na-2H]- 287.10132 164.6
[M]+ 266.12610 167.2
[M]- 266.12720 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.