CID 138689876

2355216-60-1

Structural Information

Molecular Formula
C12H17N3O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2C=C(N=C2)C(=O)O
InChI
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)14-4-8(5-14)15-6-9(10(16)17)13-7-15/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKey
AHRFDIBDTWTQIO-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.12192 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12920 162.8
[M+Na]+ 290.11114 166.4
[M+NH4]+ 285.15574 162.7
[M+K]+ 306.08508 168.3
[M-H]- 266.11464 157.5
[M+Na-2H]- 288.09659 162.1
[M]+ 267.12137 160.1
[M]- 267.12247 160.1
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