CID 119031227

1807914-43-7

Structural Information

Molecular Formula
C10H16N4O
SMILES
CNC(=O)[C@H]1CNC[C@@H]1C2=CN(N=C2)C
InChI
InChI=1S/C10H16N4O/c1-11-10(15)9-5-12-4-8(9)7-3-13-14(2)6-7/h3,6,8-9,12H,4-5H2,1-2H3,(H,11,15)/t8-,9+/m1/s1
InChIKey
NWQNWBGNKHNAGL-BDAKNGLRSA-N
Compound name
(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13242 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.139696 148.2
[M+Na]+ 231.121638 154.7
[M-H]- 207.125144 149.9
[M+NH4]+ 226.166243 165.5
[M+K]+ 247.095578 152.2
[M+H-H2O]+ 191.129680 139.7
[M+HCOO]- 253.130621 167.6
[M+CH3COO]- 267.146271 185.2
[M+Na-2H]- 229.107086 148.5
[M]+ 208.13187142 144.4
[M]- 208.13296858 144.4
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.