CID 5931

150-75-4

Structural Information

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

2D Structure

compound 2d structure
8
Annotation Hits

35
References

24107
Patents

123.06841 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 122.0
[M+Na]+ 146.057628 129.9
[M-H]- 122.061134 124.8
[M+NH4]+ 141.102233 143.6
[M+K]+ 162.031568 128.1
[M+H-H2O]+ 106.065670 116.9
[M+HCOO]- 168.066611 147.0
[M+CH3COO]- 182.082261 170.5
[M+Na-2H]- 144.043076 130.5
[M]+ 123.06786142 120.4
[M]- 123.06895858 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