CID 58984907

Potassium (2s,4s)-4-methoxy-1-methylpyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C7H13NO3
SMILES
CN1C[C@H](C[C@H]1C(=O)O)OC
InChI
InChI=1S/C7H13NO3/c1-8-4-5(11-2)3-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6-/m0/s1
InChIKey
LCRFCICIBIZKQT-WDSKDSINSA-N
Compound name
(2S,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

159.08954 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 133.0
[M+Na]+ 182.07876 140.4
[M-H]- 158.08226 134.0
[M+NH4]+ 177.12336 153.9
[M+K]+ 198.05270 140.1
[M+H-H2O]+ 142.08680 127.7
[M+HCOO]- 204.08774 153.1
[M+CH3COO]- 218.10339 174.5
[M+Na-2H]- 180.06421 135.0
[M]+ 159.08899 132.4
[M]- 159.09009 132.4
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