CID 595673

43091-72-1

Structural Information

Molecular Formula
C13H19ClN2O
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCl
InChI
InChI=1S/C13H19ClN2O/c1-17-13-5-3-2-4-12(13)16-10-8-15(7-6-14)9-11-16/h2-5H,6-11H2,1H3
InChIKey
MUSOMUXTQGJZKD-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

254.11859 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.125866 158.2
[M+Na]+ 277.107808 164.7
[M-H]- 253.111314 160.9
[M+NH4]+ 272.152413 173.2
[M+K]+ 293.081748 160.1
[M+H-H2O]+ 237.115850 149.5
[M+HCOO]- 299.116791 171.4
[M+CH3COO]- 313.132441 193.4
[M+Na-2H]- 275.093256 161.8
[M]+ 254.11804142 157.7
[M]- 254.11913858 157.7
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