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

22
Patents

244.1423 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 157.1
[M+Na]+ 267.13152 161.6
[M-H]- 243.13502 156.0
[M+NH4]+ 262.17612 173.1
[M+K]+ 283.10546 160.7
[M+H-H2O]+ 227.13956 151.9
[M+HCOO]- 289.14050 171.6
[M+CH3COO]- 303.15615 190.9
[M+Na-2H]- 265.11697 154.7
[M]+ 244.14175 153.1
[M]- 244.14285 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