CID 210504

21263-69-4

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CN(C)CCCNC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C11H17N3O2/c1-13(2)9-5-8-12-10-6-3-4-7-11(10)14(15)16/h3-4,6-7,12H,5,8-9H2,1-2H3
InChIKey
ZDZJXJSIUMJLQB-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(2-nitrophenyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

223.13208 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.139356 149.4
[M+Na]+ 246.121298 154.0
[M-H]- 222.124804 154.0
[M+NH4]+ 241.165903 166.8
[M+K]+ 262.095238 149.2
[M+H-H2O]+ 206.129340 146.7
[M+HCOO]- 268.130281 176.9
[M+CH3COO]- 282.145931 193.0
[M+Na-2H]- 244.106746 156.5
[M]+ 223.13153142 148.9
[M]- 223.13262858 148.9
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