CID 63842846

1955474-62-0

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)O)O)N
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)8(12)9(15)13-5-6(14)4-7(13)10(16)17/h6-8,14H,4-5,12H2,1-3H3,(H,16,17)/t6-,7+,8-/m1/s1
InChIKey
UHTOUVDAKTWQAQ-GJMOJQLCSA-N
Compound name
(2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

244.1423 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.149576 157.1
[M+Na]+ 267.131518 161.6
[M-H]- 243.135024 156.0
[M+NH4]+ 262.176123 173.1
[M+K]+ 283.105458 160.7
[M+H-H2O]+ 227.139560 151.9
[M+HCOO]- 289.140501 171.6
[M+CH3COO]- 303.156151 190.9
[M+Na-2H]- 265.116966 154.7
[M]+ 244.14175142 153.1
[M]- 244.14284858 153.1
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