CID 119031216

Rac-[(3r,4s)-4-[1-(propan-2-yl)-1h-pyrazol-4-yl]pyrrolidin-3-yl]methanol

Structural Information

Molecular Formula
C11H19N3O
SMILES
CC(C)N1C=C(C=N1)[C@@H]2CNC[C@H]2CO
InChI
InChI=1S/C11H19N3O/c1-8(2)14-6-9(4-13-14)11-5-12-3-10(11)7-15/h4,6,8,10-12,15H,3,5,7H2,1-2H3/t10-,11-/m0/s1
InChIKey
ITDWXHBYHVAYNM-QWRGUYRKSA-N
Compound name
[(3S,4R)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.15282 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.160096 150.6
[M+Na]+ 232.142038 156.8
[M-H]- 208.145544 150.7
[M+NH4]+ 227.186643 167.5
[M+K]+ 248.115978 153.8
[M+H-H2O]+ 192.150080 142.6
[M+HCOO]- 254.151021 166.9
[M+CH3COO]- 268.166671 182.2
[M+Na-2H]- 230.127486 149.3
[M]+ 209.15227142 146.8
[M]- 209.15336858 146.8
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.