CID 45934225

1185535-42-5

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 169.8
[M+Na]+ 310.17372 172.4
[M-H]- 286.17722 168.0
[M+NH4]+ 305.21832 181.6
[M+K]+ 326.14766 171.6
[M+H-H2O]+ 270.18176 162.2
[M+HCOO]- 332.18270 183.3
[M+CH3COO]- 346.19835 200.2
[M+Na-2H]- 308.15917 170.9
[M]+ 287.18395 168.0
[M]- 287.18505 168.0
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.