CID 93629779

1955474-39-1

Structural Information

Molecular Formula
C8H13N3O
SMILES
CO[C@@H]1C[C@H](NC1)C2=NC=CN2
InChI
InChI=1S/C8H13N3O/c1-12-6-4-7(11-5-6)8-9-2-3-10-8/h2-3,6-7,11H,4-5H2,1H3,(H,9,10)/t6-,7+/m1/s1
InChIKey
ISPKAKJVQQMQMU-RQJHMYQMSA-N
Compound name
2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 136.6
[M+Na]+ 190.09509 143.4
[M-H]- 166.09859 136.6
[M+NH4]+ 185.13969 154.9
[M+K]+ 206.06903 140.8
[M+H-H2O]+ 150.10313 128.5
[M+HCOO]- 212.10407 154.8
[M+CH3COO]- 226.11972 148.2
[M+Na-2H]- 188.08054 138.7
[M]+ 167.10532 131.9
[M]- 167.10642 131.9
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.