CID 51072200

1609388-50-2

Structural Information

Molecular Formula
C7H14N2O2
SMILES
CN(C)[C@@H]1C[C@H](NC1)C(=O)O
InChI
InChI=1S/C7H14N2O2/c1-9(2)5-3-6(7(10)11)8-4-5/h5-6,8H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
InChIKey
TYSMGLNAVKBLPB-RITPCOANSA-N
Compound name
(2S,4R)-4-(dimethylamino)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

158.10553 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.112806 135.3
[M+Na]+ 181.094748 140.6
[M-H]- 157.098254 135.9
[M+NH4]+ 176.139353 155.4
[M+K]+ 197.068688 140.2
[M+H-H2O]+ 141.102790 129.2
[M+HCOO]- 203.103731 155.1
[M+CH3COO]- 217.119381 177.0
[M+Na-2H]- 179.080196 136.8
[M]+ 158.10498142 131.3
[M]- 158.10607858 131.3
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