CID 71695345

3-[3-(propan-2-yl)-1h-pyrazol-5-yl]piperidine

Structural Information

Molecular Formula
C11H19N3
SMILES
CC(C)C1=NNC(=C1)C2CCCNC2
InChI
InChI=1S/C11H19N3/c1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9/h6,8-9,12H,3-5,7H2,1-2H3,(H,13,14)
InChIKey
GYWURNRSYQPZNC-UHFFFAOYSA-N
Compound name
3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

193.1579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.16518 147.8
[M+Na]+ 216.14712 152.4
[M-H]- 192.15062 146.8
[M+NH4]+ 211.19172 163.2
[M+K]+ 232.12106 148.4
[M+H-H2O]+ 176.15516 139.2
[M+HCOO]- 238.15610 161.6
[M+CH3COO]- 252.17175 157.4
[M+Na-2H]- 214.13257 148.7
[M]+ 193.15735 139.9
[M]- 193.15845 139.9
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