CID 16244075

597569-42-1

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)O
InChI
InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-7-8-5-4-6-9(8)10(14)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)/t8-,9-,10-/m0/s1
InChIKey
SFBZDQKMJLUZQF-GUBZILKMSA-N
Compound name
(3S,3aS,6aR)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

354
Patents

255.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 162.1
[M+Na]+ 278.13628 167.5
[M-H]- 254.13978 163.5
[M+NH4]+ 273.18088 181.7
[M+K]+ 294.11022 166.5
[M+H-H2O]+ 238.14432 157.6
[M+HCOO]- 300.14526 177.0
[M+CH3COO]- 314.16091 191.2
[M+Na-2H]- 276.12173 160.7
[M]+ 255.14651 161.2
[M]- 255.14761 161.2
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