CID 138991349

2309433-05-2

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)CC2CCC2
InChI
InChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-9-11(7-10-5-4-6-10)8-12(16)13(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)/t11-,12-/m0/s1
InChIKey
FSWZRPJWULLYSL-RYUDHWBXSA-N
Compound name
(2S,4S)-4-(cyclobutylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.17834 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18562 168.2
[M+Na]+ 306.16756 170.2
[M-H]- 282.17106 171.2
[M+NH4]+ 301.21216 177.1
[M+K]+ 322.14150 172.1
[M+H-H2O]+ 266.17560 157.0
[M+HCOO]- 328.17654 181.5
[M+CH3COO]- 342.19219 200.2
[M+Na-2H]- 304.15301 165.4
[M]+ 283.17779 175.4
[M]- 283.17889 175.4
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

No patent data available for this compound.