CID 2724974

(r,r)-(-)-2,5-bis(methoxymethyl)pyrrolidine

Structural Information

Molecular Formula
C8H17NO2
SMILES
COC[C@H]1CC[C@@H](N1)COC
InChI
InChI=1S/C8H17NO2/c1-10-5-7-3-4-8(9-7)6-11-2/h7-9H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey
HDXYTIYVVNJFLU-HTQZYQBOSA-N
Compound name
(2R,5R)-2,5-bis(methoxymethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

159.12593 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 136.5
[M+Na]+ 182.11515 142.5
[M-H]- 158.11865 136.7
[M+NH4]+ 177.15975 157.2
[M+K]+ 198.08909 141.6
[M+H-H2O]+ 142.12319 130.5
[M+HCOO]- 204.12413 156.7
[M+CH3COO]- 218.13978 174.3
[M+Na-2H]- 180.10060 139.6
[M]+ 159.12538 135.7
[M]- 159.12648 135.7
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

patents stripe