CID 57840

100427-75-6

Structural Information

Molecular Formula
C14H23ClN2O
SMILES
CCN(CC)CCNCC(C1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C14H23ClN2O/c1-3-17(4-2)10-9-16-11-14(18)12-5-7-13(15)8-6-12/h5-8,14,16,18H,3-4,9-11H2,1-2H3
InChIKey
FMTWJNHGVSECEQ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1499 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15718 165.7
[M+Na]+ 293.13912 170.3
[M-H]- 269.14262 168.4
[M+NH4]+ 288.18372 182.4
[M+K]+ 309.11306 166.6
[M+H-H2O]+ 253.14716 159.3
[M+HCOO]- 315.14810 184.3
[M+CH3COO]- 329.16375 204.8
[M+Na-2H]- 291.12457 167.9
[M]+ 270.14935 168.5
[M]- 270.15045 168.5
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.