CID 51072200

(4r)-4-(dimethylamino)-l-proline dihydrochloride

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

45
Patents

158.10553 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11281 135.3
[M+Na]+ 181.09475 140.6
[M-H]- 157.09825 135.9
[M+NH4]+ 176.13935 155.4
[M+K]+ 197.06869 140.2
[M+H-H2O]+ 141.10279 129.2
[M+HCOO]- 203.10373 155.1
[M+CH3COO]- 217.11938 177.0
[M+Na-2H]- 179.08020 136.8
[M]+ 158.10498 131.3
[M]- 158.10608 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