CID 57509101

Schembl3333627

Structural Information

Molecular Formula
C10H16N4O
SMILES
C1C[C@H](NC1)C(=O)NCCC2=NC=CN2
InChI
InChI=1S/C10H16N4O/c15-10(8-2-1-4-11-8)14-5-3-9-12-6-7-13-9/h6-8,11H,1-5H2,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKey
NPBSJIBSVYXQHN-QMMMGPOBSA-N
Compound name
(2S)-N-[2-(1H-imidazol-2-yl)ethyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

208.13242 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.139696 147.6
[M+Na]+ 231.121638 151.7
[M-H]- 207.125144 147.2
[M+NH4]+ 226.166243 163.5
[M+K]+ 247.095578 148.5
[M+H-H2O]+ 191.129680 138.6
[M+HCOO]- 253.130621 165.5
[M+CH3COO]- 267.146271 180.4
[M+Na-2H]- 229.107086 149.0
[M]+ 208.13187142 141.1
[M]- 208.13296858 141.1
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