CID 17352651

897544-63-7

Structural Information

Molecular Formula
C11H14N4O4
SMILES
C1CCN(CC1)C2=C(C=C(C(=C2)N)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C11H14N4O4/c12-8-6-10(13-4-2-1-3-5-13)11(15(18)19)7-9(8)14(16)17/h6-7H,1-5,12H2
InChIKey
ZPSOJOFPFHVPBV-UHFFFAOYSA-N
Compound name
2,4-dinitro-5-piperidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

266.1015 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.108776 156.6
[M+Na]+ 289.090718 159.8
[M-H]- 265.094224 160.9
[M+NH4]+ 284.135323 168.6
[M+K]+ 305.064658 149.2
[M+H-H2O]+ 249.098760 157.1
[M+HCOO]- 311.099701 178.0
[M+CH3COO]- 325.115351 188.0
[M+Na-2H]- 287.076166 163.4
[M]+ 266.10095142 147.7
[M]- 266.10204858 147.7
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