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]+ 224.16451 152.5
[M+Na]+ 246.14645 159.6
[M-H]- 222.14995 156.4
[M+NH4]+ 241.19105 171.3
[M+K]+ 262.12039 158.3
[M+H-H2O]+ 206.15449 146.5
[M+HCOO]- 268.15543 175.7
[M+CH3COO]- 282.17108 194.3
[M+Na-2H]- 244.13190 158.2
[M]+ 223.15668 156.2
[M]- 223.15778 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