CID 65508

Metasol j 26

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CC(C1=CC=CC=C1CNCCN)[N+](=O)[O-]
InChI
InChI=1S/C11H17N3O2/c1-9(14(15)16)11-5-3-2-4-10(11)8-13-7-6-12/h2-5,9,13H,6-8,12H2,1H3
InChIKey
COLDCYHZWGSLEJ-UHFFFAOYSA-N
Compound name
N'-[[2-(1-nitroethyl)phenyl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

223.13208 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 149.5
[M+Na]+ 246.12130 159.8
[M+NH4]+ 241.16590 156.8
[M+K]+ 262.09524 156.7
[M-H]- 222.12480 153.3
[M+Na-2H]- 244.10675 154.8
[M]+ 223.13153 151.6
[M]- 223.13263 151.6
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.