CID 56604180

Rac-tert-butyl (3r,4r)-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H21NO3
SMILES
C[C@@H]1CN(C[C@H]1CO)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO3/c1-8-5-12(6-9(8)7-13)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKey
QNVPXIMDUBAIPY-BDAKNGLRSA-N
Compound name
tert-butyl (3S,4S)-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

215.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 151.7
[M+Na]+ 238.14137 158.1
[M-H]- 214.14487 152.5
[M+NH4]+ 233.18597 170.7
[M+K]+ 254.11531 157.3
[M+H-H2O]+ 198.14941 146.6
[M+HCOO]- 260.15035 168.9
[M+CH3COO]- 274.16600 184.9
[M+Na-2H]- 236.12682 152.5
[M]+ 215.15160 151.9
[M]- 215.15270 151.9
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