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

1
Patents

237.16031 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.167586 155.2
[M+Na]+ 260.149528 160.5
[M-H]- 236.153034 160.1
[M+NH4]+ 255.194133 172.5
[M+K]+ 276.123468 149.5
[M+H-H2O]+ 220.157570 156.1
[M+HCOO]- 282.158511 179.7
[M+CH3COO]- 296.174161 187.8
[M+Na-2H]- 258.134976 165.2
[M]+ 237.15976142 154.6
[M]- 237.16085858 154.6
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.