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

187
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 151.2
[M+Na]+ 251.11549 158.0
[M-H]- 227.11899 157.2
[M+NH4]+ 246.16009 168.2
[M+K]+ 267.08943 153.9
[M+H-H2O]+ 211.12353 143.5
[M+HCOO]- 273.12447 176.7
[M+CH3COO]- 287.14012 195.0
[M+Na-2H]- 249.10094 156.6
[M]+ 228.12572 149.2
[M]- 228.12682 149.2
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