CID 145875180

2228574-71-6

Structural Information

Molecular Formula
C14H21N3O4
SMILES
CC(C)(C)OC(=O)N1CCCC1C2=NN(C(=C2)C(=O)O)C
InChI
InChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)17-7-5-6-10(17)9-8-11(12(18)19)16(4)15-9/h8,10H,5-7H2,1-4H3,(H,18,19)
InChIKey
RNMHBSMUYCTPBI-UHFFFAOYSA-N
Compound name
2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

295.1532 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16048 169.5
[M+Na]+ 318.14242 176.2
[M-H]- 294.14592 171.8
[M+NH4]+ 313.18702 183.9
[M+K]+ 334.11636 175.0
[M+H-H2O]+ 278.15046 162.5
[M+HCOO]- 340.15140 184.8
[M+CH3COO]- 354.16705 198.8
[M+Na-2H]- 316.12787 167.1
[M]+ 295.15265 170.6
[M]- 295.15375 170.6
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