CID 56842702

85567-29-9

Structural Information

Molecular Formula
C16H21N3
SMILES
C1=CC(=CC=C1CN)CNCC2=CC=C(C=C2)CN
InChI
InChI=1S/C16H21N3/c17-9-13-1-5-15(6-2-13)11-19-12-16-7-3-14(10-18)4-8-16/h1-8,19H,9-12,17-18H2
InChIKey
KVHJJDFCSSPRDQ-UHFFFAOYSA-N
Compound name
[4-[[[4-(aminomethyl)phenyl]methylamino]methyl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.17355 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.180826 159.7
[M+Na]+ 278.162768 164.9
[M-H]- 254.166274 165.2
[M+NH4]+ 273.207373 175.3
[M+K]+ 294.136708 159.7
[M+H-H2O]+ 238.170810 151.4
[M+HCOO]- 300.171751 185.3
[M+CH3COO]- 314.187401 204.1
[M+Na-2H]- 276.148216 164.5
[M]+ 255.17300142 156.3
[M]- 255.17409858 156.3
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

No patent data available for this compound.