CID 139026435

Rac-tert-butyl 3-[(1r,2s)-2-(hydroxymethyl)cyclopropyl]pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)[C@@H]2C[C@H]2CO
InChI
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-5-4-9(7-14)11-6-10(11)8-15/h9-11,15H,4-8H2,1-3H3/t9?,10-,11-/m0/s1
InChIKey
YPSLZGJDQHHJIW-DVRYWGNFSA-N
Compound name
tert-butyl 3-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 158.2
[M+Na]+ 264.15702 165.6
[M-H]- 240.16052 162.7
[M+NH4]+ 259.20162 171.2
[M+K]+ 280.13096 162.5
[M+H-H2O]+ 224.16506 152.3
[M+HCOO]- 286.16600 175.0
[M+CH3COO]- 300.18165 192.4
[M+Na-2H]- 262.14247 158.6
[M]+ 241.16725 160.4
[M]- 241.16835 160.4
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.