CID 112993

63059-37-0

Structural Information

Molecular Formula
C10H14N2O5
SMILES
CCCCN1C(=O)CC(=O)N(C1=O)CC(=O)O
InChI
InChI=1S/C10H14N2O5/c1-2-3-4-11-7(13)5-8(14)12(10(11)17)6-9(15)16/h2-6H2,1H3,(H,15,16)
InChIKey
QRISBXMPYXNSJX-UHFFFAOYSA-N
Compound name
2-(3-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

242.09027 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 150.4
[M+Na]+ 265.07949 158.1
[M-H]- 241.08299 149.9
[M+NH4]+ 260.12409 164.7
[M+K]+ 281.05343 156.3
[M+H-H2O]+ 225.08753 143.6
[M+HCOO]- 287.08847 166.9
[M+CH3COO]- 301.10412 191.2
[M+Na-2H]- 263.06494 151.0
[M]+ 242.08972 151.0
[M]- 242.09082 151.0
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

patents stripe