CID 3024726

N,n-diethyl-3-(2,6-xylyl)propylamine

Structural Information

Molecular Formula
C15H25N
SMILES
CCN(CC)CCCC1=C(C=CC=C1C)C
InChI
InChI=1S/C15H25N/c1-5-16(6-2)12-8-11-15-13(3)9-7-10-14(15)4/h7,9-10H,5-6,8,11-12H2,1-4H3
InChIKey
PLCHGXPNQCZOTJ-UHFFFAOYSA-N
Compound name
3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.1987 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.20598 154.8
[M+Na]+ 242.18792 160.8
[M-H]- 218.19142 159.4
[M+NH4]+ 237.23252 174.3
[M+K]+ 258.16186 158.9
[M+H-H2O]+ 202.19596 148.0
[M+HCOO]- 264.19690 178.9
[M+CH3COO]- 278.21255 200.2
[M+Na-2H]- 240.17337 157.9
[M]+ 219.19815 158.2
[M]- 219.19925 158.2
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.