CID 940156

Urea, (3,4-dihydro-2h-pyrrol-5-yl)-

Structural Information

Molecular Formula
C5H9N3O
SMILES
C1CC(=NC1)NC(=O)N
InChI
InChI=1S/C5H9N3O/c6-5(9)8-4-2-1-3-7-4/h1-3H2,(H3,6,7,8,9)
InChIKey
COXWIKJGOHZKIO-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyrrol-5-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

127.07456 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 124.6
[M+Na]+ 150.06378 130.9
[M-H]- 126.06728 126.4
[M+NH4]+ 145.10838 146.0
[M+K]+ 166.03772 130.3
[M+H-H2O]+ 110.07182 117.9
[M+HCOO]- 172.07276 149.2
[M+CH3COO]- 186.08841 172.0
[M+Na-2H]- 148.04923 130.0
[M]+ 127.07401 120.1
[M]- 127.07511 120.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe