CID 170771

Ai3-62125

Structural Information

Molecular Formula
C14H25N3
SMILES
CN(C)CCN(CCN(C)C)C1=CC=CC=C1
InChI
InChI=1S/C14H25N3/c1-15(2)10-12-17(13-11-16(3)4)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3
InChIKey
XYBJECRQHXFCDU-UHFFFAOYSA-N
Compound name
N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

235.20485 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.212126 160.3
[M+Na]+ 258.194068 163.3
[M-H]- 234.197574 167.1
[M+NH4]+ 253.238673 178.9
[M+K]+ 274.168008 164.3
[M+H-H2O]+ 218.202110 151.7
[M+HCOO]- 280.203051 187.6
[M+CH3COO]- 294.218701 211.7
[M+Na-2H]- 256.179516 164.2
[M]+ 235.20430142 163.5
[M]- 235.20539858 163.5
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

patents stripe