CID 3018991

Einecs 279-697-0

Structural Information

Molecular Formula
C15H18N2O
SMILES
C1=CC=C(C(=C1)CNCC2=CC=CC(=C2)CN)O
InChI
InChI=1S/C15H18N2O/c16-9-12-4-3-5-13(8-12)10-17-11-14-6-1-2-7-15(14)18/h1-8,17-18H,9-11,16H2
InChIKey
JCYUGANPTPZBBO-UHFFFAOYSA-N
Compound name
2-[[[3-(aminomethyl)phenyl]methylamino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

242.1419 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 155.3
[M+Na]+ 265.131118 161.2
[M-H]- 241.134624 160.1
[M+NH4]+ 260.175723 171.2
[M+K]+ 281.105058 156.3
[M+H-H2O]+ 225.139160 147.6
[M+HCOO]- 287.140101 179.5
[M+CH3COO]- 301.155751 196.2
[M+Na-2H]- 263.116566 160.7
[M]+ 242.14135142 152.7
[M]- 242.14244858 152.7
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