CID 124592519

Rac-(2r,5s)-5-(methoxymethyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C7H13NO3
SMILES
COC[C@@H]1CC[C@@H](N1)C(=O)O
InChI
InChI=1S/C7H13NO3/c1-11-4-5-2-3-6(8-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m0/s1
InChIKey
KHSCSHCKVLUXAQ-NTSWFWBYSA-N
Compound name
(2R,5S)-5-(methoxymethyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 134.6
[M+Na]+ 182.07876 140.6
[M-H]- 158.08226 133.8
[M+NH4]+ 177.12336 154.3
[M+K]+ 198.05270 139.4
[M+H-H2O]+ 142.08680 129.0
[M+HCOO]- 204.08774 153.1
[M+CH3COO]- 218.10339 170.7
[M+Na-2H]- 180.06421 136.6
[M]+ 159.08899 131.6
[M]- 159.09009 131.6
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.