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]+ 210.16010 150.6
[M+Na]+ 232.14204 156.8
[M-H]- 208.14554 150.7
[M+NH4]+ 227.18664 167.5
[M+K]+ 248.11598 153.8
[M+H-H2O]+ 192.15008 142.6
[M+HCOO]- 254.15102 166.9
[M+CH3COO]- 268.16667 182.2
[M+Na-2H]- 230.12749 149.3
[M]+ 209.15227 146.8
[M]- 209.15337 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.