CID 2757327

(4-sec-butyl-piperazin-1-yl)-acetic acid

Structural Information

Molecular Formula
C10H20N2O2
SMILES
CCC(C)N1CCN(CC1)CC(=O)O
InChI
InChI=1S/C10H20N2O2/c1-3-9(2)12-6-4-11(5-7-12)8-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKey
WYBLDIHNGVQSDL-UHFFFAOYSA-N
Compound name
2-(4-butan-2-ylpiperazin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.15248 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.15976 148.2
[M+Na]+ 223.14170 157.0
[M+NH4]+ 218.18630 154.4
[M+K]+ 239.11564 152.8
[M-H]- 199.14520 147.1
[M+Na-2H]- 221.12715 150.4
[M]+ 200.15193 148.7
[M]- 200.15303 148.7
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