CID 87308

17791-52-5

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1)C(=O)O
InChI
InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)/t8-/m0/s1
InChIKey
AYMLQYFMYHISQO-QMMMGPOBSA-N
Compound name
(2S)-3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2764
Patents

255.1219 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 159.1
[M+Na]+ 278.11112 163.7
[M-H]- 254.11462 157.3
[M+NH4]+ 273.15572 173.1
[M+K]+ 294.08506 162.7
[M+H-H2O]+ 238.11916 152.0
[M+HCOO]- 300.12010 175.9
[M+CH3COO]- 314.13575 190.1
[M+Na-2H]- 276.09657 160.9
[M]+ 255.12135 158.5
[M]- 255.12245 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe