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]+ 220.205976 154.8
[M+Na]+ 242.187918 160.8
[M-H]- 218.191424 159.4
[M+NH4]+ 237.232523 174.3
[M+K]+ 258.161858 158.9
[M+H-H2O]+ 202.195960 148.0
[M+HCOO]- 264.196901 178.9
[M+CH3COO]- 278.212551 200.2
[M+Na-2H]- 240.173366 157.9
[M]+ 219.19815142 158.2
[M]- 219.19924858 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.