CID 17040175

2-(4-(tert-butoxycarbonyl)-2-oxopiperazin-1-yl)acetic acid

Structural Information

Molecular Formula
C11H18N2O5
SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)C1)CC(=O)O
InChI
InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-5-4-12(7-9(15)16)8(14)6-13/h4-7H2,1-3H3,(H,15,16)
InChIKey
QHPTYSXSHRLTHM-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

258.12158 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.128856 157.3
[M+Na]+ 281.110798 162.9
[M-H]- 257.114304 156.4
[M+NH4]+ 276.155403 170.9
[M+K]+ 297.084738 162.5
[M+H-H2O]+ 241.118840 150.9
[M+HCOO]- 303.119781 170.9
[M+CH3COO]- 317.135431 191.7
[M+Na-2H]- 279.096246 158.7
[M]+ 258.12103142 156.9
[M]- 258.12212858 156.9
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