CID 122170287

1860028-24-5

Structural Information

Molecular Formula
C12H19N3O2
SMILES
CC(C)(C)OC(=O)N1CCCC1C2=CNN=C2
InChI
InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-6-4-5-10(15)9-7-13-14-8-9/h7-8,10H,4-6H2,1-3H3,(H,13,14)
InChIKey
LBNUWTQWUYDRNB-UHFFFAOYSA-N
Compound name
tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.14772 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15500 157.7
[M+Na]+ 260.13694 163.8
[M-H]- 236.14044 159.2
[M+NH4]+ 255.18154 174.1
[M+K]+ 276.11088 161.9
[M+H-H2O]+ 220.14498 149.9
[M+HCOO]- 282.14592 174.0
[M+CH3COO]- 296.16157 186.1
[M+Na-2H]- 258.12239 158.0
[M]+ 237.14717 155.7
[M]- 237.14827 155.7
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.