CID 3119334

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

Structural Information

Molecular Formula
C10H15N3O2
SMILES
C1=CC(=CC=C1NCCCCN)[N+](=O)[O-]
InChI
InChI=1S/C10H15N3O2/c11-7-1-2-8-12-9-3-5-10(6-4-9)13(14)15/h3-6,12H,1-2,7-8,11H2
InChIKey
KBSICLVSAKPMCY-UHFFFAOYSA-N
Compound name
N'-(4-nitrophenyl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

209.11642 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 144.0
[M+Na]+ 232.10564 148.9
[M-H]- 208.10914 146.8
[M+NH4]+ 227.15024 161.1
[M+K]+ 248.07958 142.5
[M+H-H2O]+ 192.11368 141.6
[M+HCOO]- 254.11462 170.7
[M+CH3COO]- 268.13027 185.7
[M+Na-2H]- 230.09109 151.4
[M]+ 209.11587 141.0
[M]- 209.11697 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

No literature data available for this compound.

Patent stripe

patents stripe