CID 40461050

369623-85-8

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)N)C(=O)O
InChI
InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-4-6(8(13)14)7(11)5-12/h6-7H,4-5,11H2,1-3H3,(H,13,14)/t6-,7-/m0/s1
InChIKey
OSQJCAMJAGJCSX-BQBZGAKWSA-N
Compound name
(3S,4R)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

230.12666 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13394 152.5
[M+Na]+ 253.11588 158.2
[M-H]- 229.11938 152.9
[M+NH4]+ 248.16048 169.9
[M+K]+ 269.08982 157.8
[M+H-H2O]+ 213.12392 147.1
[M+HCOO]- 275.12486 169.8
[M+CH3COO]- 289.14051 188.6
[M+Na-2H]- 251.10133 152.2
[M]+ 230.12611 150.5
[M]- 230.12721 150.5
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