CID 499383

Nsc673817

Structural Information

Molecular Formula
C13H21NO2
SMILES
CCOC(C1=CC=C(C=C1)N(C)C)OCC
InChI
InChI=1S/C13H21NO2/c1-5-15-13(16-6-2)11-7-9-12(10-8-11)14(3)4/h7-10,13H,5-6H2,1-4H3
InChIKey
SLRQMIHLINSOFQ-UHFFFAOYSA-N
Compound name
4-(diethoxymethyl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

223.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 153.1
[M+Na]+ 246.14645 158.7
[M-H]- 222.14995 157.8
[M+NH4]+ 241.19105 171.9
[M+K]+ 262.12039 158.7
[M+H-H2O]+ 206.15449 146.1
[M+HCOO]- 268.15543 177.3
[M+CH3COO]- 282.17108 197.8
[M+Na-2H]- 244.13190 156.7
[M]+ 223.15668 157.6
[M]- 223.15778 157.6
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