CID 4719004

Tert-butyl[(2,4,5-trimethoxyphenyl)methyl]amine

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)NCC1=CC(=C(C=C1OC)OC)OC
InChI
InChI=1S/C14H23NO3/c1-14(2,3)15-9-10-7-12(17-5)13(18-6)8-11(10)16-4/h7-8,15H,9H2,1-6H3
InChIKey
MCWCHZSXKNUUJX-UHFFFAOYSA-N
Compound name
2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

253.1678 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 159.7
[M+Na]+ 276.15702 167.2
[M-H]- 252.16052 163.7
[M+NH4]+ 271.20162 177.5
[M+K]+ 292.13096 166.3
[M+H-H2O]+ 236.16506 153.5
[M+HCOO]- 298.16600 182.7
[M+CH3COO]- 312.18165 200.7
[M+Na-2H]- 274.14247 164.3
[M]+ 253.16725 165.6
[M]- 253.16835 165.6
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