CID 3021745

91006-31-4

Structural Information

Molecular Formula
C10H16N4O2
SMILES
CN(C)CCCNC1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H16N4O2/c1-13(2)7-3-6-11-10-5-4-9(8-12-10)14(15)16/h4-5,8H,3,6-7H2,1-2H3,(H,11,12)
InChIKey
HKHGKYUDPOLSFT-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(5-nitro-2-pyridinyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

224.12732 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.134596 148.2
[M+Na]+ 247.116538 153.2
[M-H]- 223.120044 151.7
[M+NH4]+ 242.161143 164.3
[M+K]+ 263.090478 148.4
[M+H-H2O]+ 207.124580 144.7
[M+HCOO]- 269.125521 174.8
[M+CH3COO]- 283.141171 192.6
[M+Na-2H]- 245.101986 156.3
[M]+ 224.12677142 147.8
[M]- 224.12786858 147.8
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