CID 25324133

1-(4-aminophenyl)-3-cyclopropylurea

Structural Information

Molecular Formula
C10H13N3O
SMILES
C1CC1NC(=O)NC2=CC=C(C=C2)N
InChI
InChI=1S/C10H13N3O/c11-7-1-3-8(4-2-7)12-10(14)13-9-5-6-9/h1-4,9H,5-6,11H2,(H2,12,13,14)
InChIKey
CMXMMZLCDAGGNQ-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-3-cyclopropylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

191.10587 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.113146 135.3
[M+Na]+ 214.095088 142.9
[M-H]- 190.098594 142.7
[M+NH4]+ 209.139693 149.1
[M+K]+ 230.069028 139.3
[M+H-H2O]+ 174.103130 128.6
[M+HCOO]- 236.104071 162.1
[M+CH3COO]- 250.119721 191.9
[M+Na-2H]- 212.080536 142.1
[M]+ 191.10532142 134.3
[M]- 191.10641858 134.3
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