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]+ 188.13936 142.7
[M+Na]+ 210.12130 147.0
[M-H]- 186.12480 143.0
[M+NH4]+ 205.16590 161.4
[M+K]+ 226.09524 145.9
[M+H-H2O]+ 170.12934 135.8
[M+HCOO]- 232.13028 164.2
[M+CH3COO]- 246.14593 182.9
[M+Na-2H]- 208.10675 145.4
[M]+ 187.13153 138.8
[M]- 187.13263 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.