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]+ 197.128466 145.4
[M+Na]+ 219.110408 151.8
[M-H]- 195.113914 146.2
[M+NH4]+ 214.155013 163.7
[M+K]+ 235.084348 151.7
[M+H-H2O]+ 179.118450 138.0
[M+HCOO]- 241.119391 165.5
[M+CH3COO]- 255.135041 184.8
[M+Na-2H]- 217.095856 147.1
[M]+ 196.12064142 147.7
[M]- 196.12173858 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.