CID 114458

13078-73-4

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC(CC1=C(C=CC(=C1)OC)OC)N(C)C
InChI
InChI=1S/C13H21NO2/c1-10(14(2)3)8-11-9-12(15-4)6-7-13(11)16-5/h6-7,9-10H,8H2,1-5H3
InChIKey
AZSJYUNXTSRXEI-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)-N,N-dimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

223.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 152.3
[M+Na]+ 246.14645 158.8
[M-H]- 222.14995 157.4
[M+NH4]+ 241.19105 171.5
[M+K]+ 262.12039 158.9
[M+H-H2O]+ 206.15449 145.6
[M+HCOO]- 268.15543 176.5
[M+CH3COO]- 282.17108 199.0
[M+Na-2H]- 244.13190 155.2
[M]+ 223.15668 157.2
[M]- 223.15778 157.2
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