CID 10820513

3-(methylamino)phenol

Structural Information

Molecular Formula
C7H9NO
SMILES
CNC1=CC(=CC=C1)O
InChI
InChI=1S/C7H9NO/c1-8-6-3-2-4-7(9)5-6/h2-5,8-9H,1H3
InChIKey
KLLOEOPUXBJSOW-UHFFFAOYSA-N
Compound name
3-(methylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

471
Patents

123.06841 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 122.0
[M+Na]+ 146.05763 129.9
[M-H]- 122.06113 124.8
[M+NH4]+ 141.10223 143.6
[M+K]+ 162.03157 128.1
[M+H-H2O]+ 106.06567 116.9
[M+HCOO]- 168.06661 147.0
[M+CH3COO]- 182.08226 170.5
[M+Na-2H]- 144.04308 130.5
[M]+ 123.06786 120.4
[M]- 123.06896 120.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe