CID 3018942

80467-77-2

Structural Information

Molecular Formula
C9H14N2O
SMILES
CC(CNC1=CC=C(C=C1)N)O
InChI
InChI=1S/C9H14N2O/c1-7(12)6-11-9-4-2-8(10)3-5-9/h2-5,7,11-12H,6,10H2,1H3
InChIKey
XYAQUYKPDDPZHG-UHFFFAOYSA-N
Compound name
1-(4-aminoanilino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5074
Patents

166.11061 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 136.2
[M+Na]+ 189.099828 142.1
[M-H]- 165.103334 138.1
[M+NH4]+ 184.144433 155.3
[M+K]+ 205.073768 139.8
[M+H-H2O]+ 149.107870 130.2
[M+HCOO]- 211.108811 159.9
[M+CH3COO]- 225.124461 181.9
[M+Na-2H]- 187.085276 141.4
[M]+ 166.11006142 132.8
[M]- 166.11115858 132.8
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