CID 53256681

4-(4-iodo-1h-pyrazol-1-yl)piperidine

Structural Information

Molecular Formula
C8H12IN3
SMILES
C1CNCCC1N2C=C(C=N2)I
InChI
InChI=1S/C8H12IN3/c9-7-5-11-12(6-7)8-1-3-10-4-2-8/h5-6,8,10H,1-4H2
InChIKey
GYYVRUODGBPRHC-UHFFFAOYSA-N
Compound name
4-(4-iodopyrazol-1-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

277.0076 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.01488 138.9
[M+Na]+ 299.99682 138.4
[M-H]- 276.00032 132.7
[M+NH4]+ 295.04142 151.3
[M+K]+ 315.97076 141.2
[M+H-H2O]+ 260.00486 127.0
[M+HCOO]- 322.00580 151.5
[M+CH3COO]- 336.02145 146.3
[M+Na-2H]- 297.98227 131.6
[M]+ 277.00705 130.5
[M]- 277.00815 130.5
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