CID 12618671

2-{[(2-aminophenyl)methoxy]methyl}aniline

Structural Information

Molecular Formula
C14H16N2O
SMILES
C1=CC=C(C(=C1)COCC2=CC=CC=C2N)N
InChI
InChI=1S/C14H16N2O/c15-13-7-3-1-5-11(13)9-17-10-12-6-2-4-8-14(12)16/h1-8H,9-10,15-16H2
InChIKey
SZJBQSXXLJETCD-UHFFFAOYSA-N
Compound name
2-[(2-aminophenyl)methoxymethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

228.12627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 152.6
[M+Na]+ 251.11549 165.7
[M+NH4]+ 246.16009 161.3
[M+K]+ 267.08943 158.0
[M-H]- 227.11899 158.4
[M+Na-2H]- 249.10094 161.8
[M]+ 228.12572 156.1
[M]- 228.12682 156.1
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