CID 28740404

1-[4-(aminomethyl)phenyl]imidazolidin-2-one

Structural Information

Molecular Formula
C10H13N3O
SMILES
C1CN(C(=O)N1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C10H13N3O/c11-7-8-1-3-9(4-2-8)13-6-5-12-10(13)14/h1-4H,5-7,11H2,(H,12,14)
InChIKey
KWSZXYDYUDVQJT-UHFFFAOYSA-N
Compound name
1-[4-(aminomethyl)phenyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.10587 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 141.8
[M+Na]+ 214.09509 148.8
[M-H]- 190.09859 144.0
[M+NH4]+ 209.13969 159.1
[M+K]+ 230.06903 144.8
[M+H-H2O]+ 174.10313 133.9
[M+HCOO]- 236.10407 162.1
[M+CH3COO]- 250.11972 181.1
[M+Na-2H]- 212.08054 144.9
[M]+ 191.10532 136.3
[M]- 191.10642 136.3
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

patents stripe