CID 122164028

Methyl (2r)-2-(1h-imidazol-1-yl)-4-methylpentanoate

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CC(C)C[C@H](C(=O)OC)N1C=CN=C1
InChI
InChI=1S/C10H16N2O2/c1-8(2)6-9(10(13)14-3)12-5-4-11-7-12/h4-5,7-9H,6H2,1-3H3/t9-/m1/s1
InChIKey
ZBAXVWGOMYPZGG-SECBINFHSA-N
Compound name
methyl (2R)-2-imidazol-1-yl-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 145.4
[M+Na]+ 219.11041 151.8
[M-H]- 195.11391 146.2
[M+NH4]+ 214.15501 163.7
[M+K]+ 235.08435 151.7
[M+H-H2O]+ 179.11845 138.0
[M+HCOO]- 241.11939 165.5
[M+CH3COO]- 255.13504 184.8
[M+Na-2H]- 217.09586 147.1
[M]+ 196.12064 147.7
[M]- 196.12174 147.7
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

No patent data available for this compound.