CID 132371522

2155856-40-7

Structural Information

Molecular Formula
C11H17N3O3
SMILES
CN1C=C(C(=N1)C(=O)O)CN2CCC(C2)OC
InChI
InChI=1S/C11H17N3O3/c1-13-5-8(10(12-13)11(15)16)6-14-4-3-9(7-14)17-2/h5,9H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKey
BKHFSCAYFUJOGN-UHFFFAOYSA-N
Compound name
4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.127 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13428 154.0
[M+Na]+ 262.11622 161.6
[M-H]- 238.11972 155.9
[M+NH4]+ 257.16082 170.5
[M+K]+ 278.09016 159.9
[M+H-H2O]+ 222.12426 146.1
[M+HCOO]- 284.12520 172.4
[M+CH3COO]- 298.14085 189.2
[M+Na-2H]- 260.10167 152.7
[M]+ 239.12645 154.6
[M]- 239.12755 154.6
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

No patent data available for this compound.