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]+ 224.13936 149.4
[M+Na]+ 246.12130 154.0
[M-H]- 222.12480 154.0
[M+NH4]+ 241.16590 166.8
[M+K]+ 262.09524 149.2
[M+H-H2O]+ 206.12934 146.7
[M+HCOO]- 268.13028 176.9
[M+CH3COO]- 282.14593 193.0
[M+Na-2H]- 244.10675 156.5
[M]+ 223.13153 148.9
[M]- 223.13263 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