CID 3704747

34906-32-6

Structural Information

Molecular Formula
C13H21N2O2
SMILES
CC[N+](CC)(CC)CC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C13H21N2O2/c1-4-15(5-2,6-3)11-12-8-7-9-13(10-12)14(16)17/h7-10H,4-6,11H2,1-3H3/q+1
InChIKey
HWUXSXCDZNYFHH-UHFFFAOYSA-N
Compound name
triethyl-[(3-nitrophenyl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.16031 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.16759 154.8
[M+Na]+ 260.14953 169.1
[M+NH4]+ 255.19413 164.1
[M+K]+ 276.12347 165.2
[M-H]- 236.15303 160.6
[M+Na-2H]- 258.13498 162.3
[M]+ 237.15976 158.9
[M]- 237.16086 158.9
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.