CID 270527

(2,2-diethoxyethyl)[(4-methoxyphenyl)methyl]amine

Structural Information

Molecular Formula
C14H23NO3
SMILES
CCOC(CNCC1=CC=C(C=C1)OC)OCC
InChI
InChI=1S/C14H23NO3/c1-4-17-14(18-5-2)11-15-10-12-6-8-13(16-3)9-7-12/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKey
CMSSGXIYTNOYIO-UHFFFAOYSA-N
Compound name
2,2-diethoxy-N-[(4-methoxyphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

253.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 160.6
[M+Na]+ 276.15702 165.4
[M-H]- 252.16052 163.5
[M+NH4]+ 271.20162 177.4
[M+K]+ 292.13096 164.4
[M+H-H2O]+ 236.16506 153.2
[M+HCOO]- 298.16600 184.2
[M+CH3COO]- 312.18165 199.3
[M+Na-2H]- 274.14247 164.4
[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

literature stripe

Patent stripe

patents stripe