CID 45934225

2-(4-(2-((tert-butoxycarbonyl)amino)ethyl)piperazin-1-yl)acetic acid

Structural Information

Molecular Formula
C13H25N3O4
SMILES
CC(C)(C)OC(=O)NCCN1CCN(CC1)CC(=O)O
InChI
InChI=1S/C13H25N3O4/c1-13(2,3)20-12(19)14-4-5-15-6-8-16(9-7-15)10-11(17)18/h4-10H2,1-3H3,(H,14,19)(H,17,18)
InChIKey
GFXIXIVRNYSAQN-UHFFFAOYSA-N
Compound name
2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1845 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19178 168.1
[M+Na]+ 310.17372 173.6
[M+NH4]+ 305.21832 171.5
[M+K]+ 326.14766 171.6
[M-H]- 286.17722 165.1
[M+Na-2H]- 308.15917 168.2
[M]+ 287.18395 167.3
[M]- 287.18505 167.3
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

No patent data available for this compound.