CID 18975990

1-[4-(aminomethyl)phenyl]-3-methylurea

Structural Information

Molecular Formula
C9H13N3O
SMILES
CNC(=O)NC1=CC=C(C=C1)CN
InChI
InChI=1S/C9H13N3O/c1-11-9(13)12-8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3,(H2,11,12,13)
InChIKey
UXJVWLFOFSDULW-UHFFFAOYSA-N
Compound name
1-[4-(aminomethyl)phenyl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

179.10587 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 139.5
[M+Na]+ 202.09509 148.9
[M+NH4]+ 197.13969 147.0
[M+K]+ 218.06903 143.6
[M-H]- 178.09859 142.5
[M+Na-2H]- 200.08054 145.5
[M]+ 179.10532 141.3
[M]- 179.10642 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

patents stripe