CID 52908262

Rac-3-ethyl-1-[(3r,4r)-4-methoxypyrrolidin-3-yl]urea hydrochloride

Structural Information

Molecular Formula
C8H17N3O2
SMILES
CCNC(=O)N[C@@H]1CNC[C@H]1OC
InChI
InChI=1S/C8H17N3O2/c1-3-10-8(12)11-6-4-9-5-7(6)13-2/h6-7,9H,3-5H2,1-2H3,(H2,10,11,12)/t6-,7-/m1/s1
InChIKey
DNSNIORUJNTUIE-RNFRBKRXSA-N
Compound name
1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.13208 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.139356 142.7
[M+Na]+ 210.121298 147.0
[M-H]- 186.124804 143.0
[M+NH4]+ 205.165903 161.4
[M+K]+ 226.095238 145.9
[M+H-H2O]+ 170.129340 135.8
[M+HCOO]- 232.130281 164.2
[M+CH3COO]- 246.145931 182.9
[M+Na-2H]- 208.106746 145.4
[M]+ 187.13153142 138.8
[M]- 187.13262858 138.8
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.