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

18
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 172.8
[M+Na]+ 333.15332 177.7
[M-H]- 309.15682 175.7
[M+NH4]+ 328.19792 184.5
[M+K]+ 349.12726 172.1
[M+H-H2O]+ 293.16136 169.0
[M+HCOO]- 355.16230 188.9
[M+CH3COO]- 369.17795 198.2
[M+Na-2H]- 331.13877 176.1
[M]+ 310.16355 170.2
[M]- 310.16465 170.2
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