CID 16788785

Tert-butyl[(2,5-dimethoxyphenyl)methyl]amine

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC(C)(C)NCC1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C13H21NO2/c1-13(2,3)14-9-10-8-11(15-4)6-7-12(10)16-5/h6-8,14H,9H2,1-5H3
InChIKey
IANAEYZIBWBLPA-UHFFFAOYSA-N
Compound name
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.15723 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 152.5
[M+Na]+ 246.146448 159.6
[M-H]- 222.149954 156.4
[M+NH4]+ 241.191053 171.3
[M+K]+ 262.120388 158.3
[M+H-H2O]+ 206.154490 146.5
[M+HCOO]- 268.155431 175.7
[M+CH3COO]- 282.171081 194.3
[M+Na-2H]- 244.131896 158.2
[M]+ 223.15668142 156.2
[M]- 223.15777858 156.2
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