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]+ 144.11315 131.2
[M+Na]+ 166.09509 135.6
[M-H]- 142.09859 131.6
[M+NH4]+ 161.13969 151.5
[M+K]+ 182.06903 134.5
[M+H-H2O]+ 126.10313 124.5
[M+HCOO]- 188.10407 153.2
[M+CH3COO]- 202.11972 173.5
[M+Na-2H]- 164.08054 135.6
[M]+ 143.10532 124.8
[M]- 143.10642 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