CID 3009119

1-[[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]imidazole

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC1(OC[C@@H](O1)CN2C=CN=C2)C
InChI
InChI=1S/C9H14N2O2/c1-9(2)12-6-8(13-9)5-11-4-3-10-7-11/h3-4,7-8H,5-6H2,1-2H3/t8-/m0/s1
InChIKey
CCDVNDSSFXXPFA-QMMMGPOBSA-N
Compound name
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 136.2
[M+Na]+ 205.09475 144.6
[M-H]- 181.09825 141.7
[M+NH4]+ 200.13935 156.2
[M+K]+ 221.06869 145.9
[M+H-H2O]+ 165.10279 130.1
[M+HCOO]- 227.10373 156.9
[M+CH3COO]- 241.11938 178.2
[M+Na-2H]- 203.08020 141.6
[M]+ 182.10498 138.0
[M]- 182.10608 138.0
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

No patent data available for this compound.