CID 40430242

885270-66-6

Structural Information

Molecular Formula
C13H20N2O
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)CCN
InChI
InChI=1S/C13H20N2O/c1-3-15(4-2)13(16)12-7-5-11(6-8-12)9-10-14/h5-8H,3-4,9-10,14H2,1-2H3
InChIKey
YPNJSWQKAZEDJY-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-N,N-diethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

220.15756 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.164836 153.6
[M+Na]+ 243.146778 158.8
[M-H]- 219.150284 157.8
[M+NH4]+ 238.191383 171.9
[M+K]+ 259.120718 157.3
[M+H-H2O]+ 203.154820 146.5
[M+HCOO]- 265.155761 178.2
[M+CH3COO]- 279.171411 198.5
[M+Na-2H]- 241.132226 156.4
[M]+ 220.15701142 154.1
[M]- 220.15810858 154.1
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