CID 22504281

3-methyl-1-(pyrrolidin-3-yl)urea

Structural Information

Molecular Formula
C6H13N3O
SMILES
CNC(=O)NC1CCNC1
InChI
InChI=1S/C6H13N3O/c1-7-6(10)9-5-2-3-8-4-5/h5,8H,2-4H2,1H3,(H2,7,9,10)
InChIKey
AETYEPQFHBJEFI-UHFFFAOYSA-N
Compound name
1-methyl-3-pyrrolidin-3-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

143.10587 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.113146 131.2
[M+Na]+ 166.095088 135.6
[M-H]- 142.098594 131.6
[M+NH4]+ 161.139693 151.5
[M+K]+ 182.069028 134.5
[M+H-H2O]+ 126.103130 124.5
[M+HCOO]- 188.104071 153.2
[M+CH3COO]- 202.119721 173.5
[M+Na-2H]- 164.080536 135.6
[M]+ 143.10532142 124.8
[M]- 143.10641858 124.8
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

patents stripe