CID 155821901

2276410-60-5

Structural Information

Molecular Formula
C11H17N3O
SMILES
C[C@@H](C1=CC=C(C=C1)N)NC(=O)N(C)C
InChI
InChI=1S/C11H17N3O/c1-8(13-11(15)14(2)3)9-4-6-10(12)7-5-9/h4-8H,12H2,1-3H3,(H,13,15)/t8-/m0/s1
InChIKey
FSJYRIMHHARDDT-QMMMGPOBSA-N
Compound name
3-[(1S)-1-(4-aminophenyl)ethyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.13716 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.144436 149.1
[M+Na]+ 230.126378 154.1
[M-H]- 206.129884 153.7
[M+NH4]+ 225.170983 167.6
[M+K]+ 246.100318 153.7
[M+H-H2O]+ 190.134420 142.0
[M+HCOO]- 252.135361 174.4
[M+CH3COO]- 266.151011 197.8
[M+Na-2H]- 228.111826 151.9
[M]+ 207.13661142 147.4
[M]- 207.13770858 147.4
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

No patent data available for this compound.