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]+ 240.17468 158.1
[M+Na]+ 262.15662 164.2
[M-H]- 238.16012 164.1
[M+NH4]+ 257.20122 175.3
[M+K]+ 278.13056 159.6
[M+H-H2O]+ 222.16466 150.5
[M+HCOO]- 284.16560 180.9
[M+CH3COO]- 298.18125 198.4
[M+Na-2H]- 260.14207 161.2
[M]+ 239.16685 156.7
[M]- 239.16795 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