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]+ 254.175076 159.7
[M+Na]+ 276.157018 167.2
[M-H]- 252.160524 163.7
[M+NH4]+ 271.201623 177.5
[M+K]+ 292.130958 166.3
[M+H-H2O]+ 236.165060 153.5
[M+HCOO]- 298.166001 182.7
[M+CH3COO]- 312.181651 200.7
[M+Na-2H]- 274.142466 164.3
[M]+ 253.16725142 165.6
[M]- 253.16834858 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