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
2
Annotation Hits

0
References

10
Patents

242.09027 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.097546 150.4
[M+Na]+ 265.079488 158.1
[M-H]- 241.082994 149.9
[M+NH4]+ 260.124093 164.7
[M+K]+ 281.053428 156.3
[M+H-H2O]+ 225.087530 143.6
[M+HCOO]- 287.088471 166.9
[M+CH3COO]- 301.104121 191.2
[M+Na-2H]- 263.064936 151.0
[M]+ 242.08972142 151.0
[M]- 242.09081858 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