CID 116654403

3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea

Structural Information

Molecular Formula
C9H19N3O
SMILES
CCNC(=O)NCC1CCN(C1)C
InChI
InChI=1S/C9H19N3O/c1-3-10-9(13)11-6-8-4-5-12(2)7-8/h8H,3-7H2,1-2H3,(H2,10,11,13)
InChIKey
VWYUARITJRCINK-UHFFFAOYSA-N
Compound name
1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.15282 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.160096 144.4
[M+Na]+ 208.142038 148.8
[M-H]- 184.145544 146.0
[M+NH4]+ 203.186643 164.0
[M+K]+ 224.115978 147.9
[M+H-H2O]+ 168.150080 137.2
[M+HCOO]- 230.151021 166.9
[M+CH3COO]- 244.166671 186.3
[M+Na-2H]- 206.127486 147.0
[M]+ 185.15227142 141.3
[M]- 185.15336858 141.3
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.