CID 155822635

2503202-87-5

Structural Information

Molecular Formula
C9H14N4O2
SMILES
C1CNCCC1CN2C(=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C9H14N4O2/c14-13(15)9-3-6-11-12(9)7-8-1-4-10-5-2-8/h3,6,8,10H,1-2,4-5,7H2
InChIKey
QANJJSQEKUXWQV-UHFFFAOYSA-N
Compound name
4-[(5-nitropyrazol-1-yl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11168 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11896 145.3
[M+Na]+ 233.10090 149.8
[M-H]- 209.10440 146.2
[M+NH4]+ 228.14550 159.7
[M+K]+ 249.07484 143.1
[M+H-H2O]+ 193.10894 140.9
[M+HCOO]- 255.10988 163.5
[M+CH3COO]- 269.12553 176.1
[M+Na-2H]- 231.08635 151.1
[M]+ 210.11113 137.8
[M]- 210.11223 137.8
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

No patent data available for this compound.