CID 103438865

3-(cyclopropylamino)phenol

Structural Information

Molecular Formula
C9H11NO
SMILES
C1CC1NC2=CC(=CC=C2)O
InChI
InChI=1S/C9H11NO/c11-9-3-1-2-8(6-9)10-7-4-5-7/h1-3,6-7,10-11H,4-5H2
InChIKey
CLLMMWLNILSNMO-UHFFFAOYSA-N
Compound name
3-(cyclopropylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.08406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 126.0
[M+Na]+ 172.073278 135.1
[M-H]- 148.076784 132.7
[M+NH4]+ 167.117883 141.7
[M+K]+ 188.047218 131.8
[M+H-H2O]+ 132.081320 120.0
[M+HCOO]- 194.082261 151.0
[M+CH3COO]- 208.097911 178.7
[M+Na-2H]- 170.058726 134.2
[M]+ 149.08351142 126.5
[M]- 149.08460858 126.5
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.