CID 16642866

{2-amino-1-[4-(propan-2-yloxy)phenyl]ethyl}dimethylamine

Structural Information

Molecular Formula
C13H22N2O
SMILES
CC(C)OC1=CC=C(C=C1)C(CN)N(C)C
InChI
InChI=1S/C13H22N2O/c1-10(2)16-12-7-5-11(6-8-12)13(9-14)15(3)4/h5-8,10,13H,9,14H2,1-4H3
InChIKey
YQIGXGUELXVADN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.17322 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18050 155.2
[M+Na]+ 245.16244 159.7
[M-H]- 221.16594 159.4
[M+NH4]+ 240.20704 173.4
[M+K]+ 261.13638 159.3
[M+H-H2O]+ 205.17048 148.0
[M+HCOO]- 267.17142 178.5
[M+CH3COO]- 281.18707 200.9
[M+Na-2H]- 243.14789 156.7
[M]+ 222.17267 155.8
[M]- 222.17377 155.8
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

No patent data available for this compound.