CID 99945788

2307784-03-6

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CC[C@]2([C@@H]1CCC2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-8-7-13(10(15)16)6-4-5-9(13)14/h9H,4-8H2,1-3H3,(H,15,16)/t9-,13+/m0/s1
InChIKey
HERZQHQDMXBYJF-TVQRCGJNSA-N
Compound name
(3aR,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 159.1
[M+Na]+ 278.13628 164.1
[M+NH4]+ 273.18088 166.1
[M+K]+ 294.11022 163.9
[M-H]- 254.13978 156.1
[M+Na-2H]- 276.12173 159.6
[M]+ 255.14651 158.5
[M]- 255.14761 158.5
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

No patent data available for this compound.