CID 296048

84434-83-3

Structural Information

Molecular Formula
C13H21ClN2
SMILES
CCN(CC)CCNCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C13H21ClN2/c1-3-16(4-2)10-9-15-11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3
InChIKey
QMHPWYDPGOPWPA-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

240.13933 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.146606 157.7
[M+Na]+ 263.128548 163.6
[M-H]- 239.132054 161.9
[M+NH4]+ 258.173153 176.5
[M+K]+ 279.102488 159.9
[M+H-H2O]+ 223.136590 151.3
[M+HCOO]- 285.137531 178.9
[M+CH3COO]- 299.153181 201.5
[M+Na-2H]- 261.113996 162.2
[M]+ 240.13878142 161.3
[M]- 240.13987858 161.3
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

patents stripe