CID 2829593

N'-(2-nitrophenyl)butane-1,4-diamine

Structural Information

Molecular Formula
C10H15N3O2
SMILES
C1=CC=C(C(=C1)NCCCCN)[N+](=O)[O-]
InChI
InChI=1S/C10H15N3O2/c11-7-3-4-8-12-9-5-1-2-6-10(9)13(14)15/h1-2,5-6,12H,3-4,7-8,11H2
InChIKey
LMSPIBZJRMGTOC-UHFFFAOYSA-N
Compound name
N'-(2-nitrophenyl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

209.11642 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.123696 144.0
[M+Na]+ 232.105638 148.9
[M-H]- 208.109144 146.8
[M+NH4]+ 227.150243 161.1
[M+K]+ 248.079578 142.5
[M+H-H2O]+ 192.113680 141.6
[M+HCOO]- 254.114621 170.7
[M+CH3COO]- 268.130271 185.7
[M+Na-2H]- 230.091086 151.4
[M]+ 209.11587142 141.0
[M]- 209.11696858 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.