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 157.4
[M+Na]+ 264.15702 163.3
[M+NH4]+ 259.20162 165.4
[M+K]+ 280.13096 161.7
[M-H]- 240.16052 155.4
[M+Na-2H]- 262.14247 158.7
[M]+ 241.16725 157.4
[M]- 241.16835 157.4
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.