CID 5276868

N'-(2-methyl-5-nitro-phenyl)propane-1,3-diamine

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])NCCCN
InChI
InChI=1S/C10H15N3O2/c1-8-3-4-9(13(14)15)7-10(8)12-6-2-5-11/h3-4,7,12H,2,5-6,11H2,1H3
InChIKey
AHTJNLJMKMWJIG-UHFFFAOYSA-N
Compound name
N'-(2-methyl-5-nitrophenyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

209.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 144.2
[M+Na]+ 232.10564 150.0
[M-H]- 208.10914 147.4
[M+NH4]+ 227.15024 161.6
[M+K]+ 248.07958 143.6
[M+H-H2O]+ 192.11368 142.1
[M+HCOO]- 254.11462 170.9
[M+CH3COO]- 268.13027 186.8
[M+Na-2H]- 230.09109 150.9
[M]+ 209.11587 141.6
[M]- 209.11697 141.6
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.