CID 94163650

1445951-44-9

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2(C1)CO
InChI
InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-7-10-5-4-6-13(10,8-14)9-15/h10,15H,4-9H2,1-3H3/t10-,13+/m0/s1
InChIKey
BBMPPFABSXELKV-GXFFZTMASA-N
Compound name
tert-butyl (3aR,6aR)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 160.7
[M+Na]+ 264.15702 166.3
[M-H]- 240.16052 161.9
[M+NH4]+ 259.20162 182.9
[M+K]+ 280.13096 164.9
[M+H-H2O]+ 224.16506 156.5
[M+HCOO]- 286.16600 176.3
[M+CH3COO]- 300.18165 187.4
[M+Na-2H]- 262.14247 162.1
[M]+ 241.16725 159.6
[M]- 241.16835 159.6
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.