CID 118961721

1536200-86-8

Structural Information

Molecular Formula
C14H22N4O4
SMILES
CC1=NN(C=C1[N+](=O)[O-])C2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H22N4O4/c1-10-12(18(20)21)9-17(15-10)11-5-7-16(8-6-11)13(19)22-14(2,3)4/h9,11H,5-8H2,1-4H3
InChIKey
OEOKTJRRIDBJQS-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

310.1641 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17138 168.7
[M+Na]+ 333.15332 178.1
[M+NH4]+ 328.19792 173.3
[M+K]+ 349.12726 179.6
[M-H]- 309.15682 169.3
[M+Na-2H]- 331.13877 171.5
[M]+ 310.16355 169.7
[M]- 310.16465 169.7
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