CID 796533

21867-70-9

Structural Information

Molecular Formula
C13H20N2O
SMILES
CCOC1=CC=C(C=C1)CN2CCNCC2
InChI
InChI=1S/C13H20N2O/c1-2-16-13-5-3-12(4-6-13)11-15-9-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3
InChIKey
UBALQHBNQQCDGM-UHFFFAOYSA-N
Compound name
1-[(4-ethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

220.15756 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.164836 152.8
[M+Na]+ 243.146778 157.1
[M-H]- 219.150284 154.0
[M+NH4]+ 238.191383 167.3
[M+K]+ 259.120718 153.4
[M+H-H2O]+ 203.154820 143.8
[M+HCOO]- 265.155761 169.2
[M+CH3COO]- 279.171411 185.9
[M+Na-2H]- 241.132226 157.2
[M]+ 220.15701142 148.1
[M]- 220.15810858 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe