CID 2759512

95470-68-1

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC(C)N1CCN(CC1)CC(=O)O
InChI
InChI=1S/C9H18N2O2/c1-8(2)11-5-3-10(4-6-11)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKey
ABCKTSYFMNBGKM-UHFFFAOYSA-N
Compound name
2-(4-propan-2-ylpiperazin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

186.13683 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 144.2
[M+Na]+ 209.126048 148.8
[M-H]- 185.129554 142.8
[M+NH4]+ 204.170653 160.3
[M+K]+ 225.099988 147.8
[M+H-H2O]+ 169.134090 137.1
[M+HCOO]- 231.135031 158.9
[M+CH3COO]- 245.150681 181.2
[M+Na-2H]- 207.111496 145.8
[M]+ 186.13628142 140.3
[M]- 186.13737858 140.3
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