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

15
Patents

266.1015 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 156.6
[M+Na]+ 289.09072 159.8
[M-H]- 265.09422 160.9
[M+NH4]+ 284.13532 168.6
[M+K]+ 305.06466 149.2
[M+H-H2O]+ 249.09876 157.1
[M+HCOO]- 311.09970 178.0
[M+CH3COO]- 325.11535 188.0
[M+Na-2H]- 287.07617 163.4
[M]+ 266.10095 147.7
[M]- 266.10205 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