CID 93681187

2126144-87-2

Structural Information

Molecular Formula
C10H17N3O
SMILES
CC1=C(N=C(N1)[C@@H]2C[C@H](CN2)OC)C
InChI
InChI=1S/C10H17N3O/c1-6-7(2)13-10(12-6)9-4-8(14-3)5-11-9/h8-9,11H,4-5H2,1-3H3,(H,12,13)/t8-,9+/m1/s1
InChIKey
FKFLQBWAWUQGOW-BDAKNGLRSA-N
Compound name
2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.13716 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.14444 145.9
[M+Na]+ 218.12638 153.8
[M-H]- 194.12988 146.4
[M+NH4]+ 213.17098 163.8
[M+K]+ 234.10032 150.5
[M+H-H2O]+ 178.13442 138.3
[M+HCOO]- 240.13536 163.5
[M+CH3COO]- 254.15101 179.6
[M+Na-2H]- 216.11183 145.5
[M]+ 195.13661 142.7
[M]- 195.13771 142.7
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.