CID 65449770

Methyl 3-(3-methylpiperazin-1-yl)propanoate

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC1CN(CCN1)CCC(=O)OC
InChI
InChI=1S/C9H18N2O2/c1-8-7-11(6-4-10-8)5-3-9(12)13-2/h8,10H,3-7H2,1-2H3
InChIKey
OXAZYWKNAZSLMW-UHFFFAOYSA-N
Compound name
methyl 3-(3-methylpiperazin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.13683 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 144.6
[M+Na]+ 209.126048 149.5
[M-H]- 185.129554 143.1
[M+NH4]+ 204.170653 160.9
[M+K]+ 225.099988 148.0
[M+H-H2O]+ 169.134090 137.4
[M+HCOO]- 231.135031 160.3
[M+CH3COO]- 245.150681 179.7
[M+Na-2H]- 207.111496 147.3
[M]+ 186.13628142 141.2
[M]- 186.13737858 141.2
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

No patent data available for this compound.