CID 3043347

Benzenemethanamine, 4-amino-3-(1,1-dimethylethyl)-n,n-diethyl-, dihydrochloride

Structural Information

Molecular Formula
C15H26N2
SMILES
CCN(CC)CC1=CC(=C(C=C1)N)C(C)(C)C
InChI
InChI=1S/C15H26N2/c1-6-17(7-2)11-12-8-9-14(16)13(10-12)15(3,4)5/h8-10H,6-7,11,16H2,1-5H3
InChIKey
RFLXWHSCUAIIOI-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-(diethylaminomethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

234.2096 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.21688 159.9
[M+Na]+ 257.19882 170.4
[M+NH4]+ 252.24342 168.0
[M+K]+ 273.17276 164.0
[M-H]- 233.20232 163.2
[M+Na-2H]- 255.18427 165.6
[M]+ 234.20905 162.3
[M]- 234.21015 162.3
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

patents stripe