CID 20455312

1,3-bis(4-methylphenyl)propan-2-amine

Structural Information

Molecular Formula
C17H21N
SMILES
CC1=CC=C(C=C1)CC(CC2=CC=C(C=C2)C)N
InChI
InChI=1S/C17H21N/c1-13-3-7-15(8-4-13)11-17(18)12-16-9-5-14(2)6-10-16/h3-10,17H,11-12,18H2,1-2H3
InChIKey
SYPSBLFFJDFXSM-UHFFFAOYSA-N
Compound name
1,3-bis(4-methylphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

239.1674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.174676 158.1
[M+Na]+ 262.156618 164.2
[M-H]- 238.160124 164.1
[M+NH4]+ 257.201223 175.3
[M+K]+ 278.130558 159.6
[M+H-H2O]+ 222.164660 150.5
[M+HCOO]- 284.165601 180.9
[M+CH3COO]- 298.181251 198.4
[M+Na-2H]- 260.142066 161.2
[M]+ 239.16685142 156.7
[M]- 239.16794858 156.7
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