CID 78357946

Tert-butyl 2-(chloromethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H20ClNO3
SMILES
CC(C)(C)OC(=O)N1CCCC1(CO)CCl
InChI
InChI=1S/C11H20ClNO3/c1-10(2,3)16-9(15)13-6-4-5-11(13,7-12)8-14/h14H,4-8H2,1-3H3
InChIKey
WCRYBJJGDDLNHW-UHFFFAOYSA-N
Compound name
tert-butyl 2-(chloromethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11317 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.120446 156.6
[M+Na]+ 272.102388 163.7
[M-H]- 248.105894 157.3
[M+NH4]+ 267.146993 176.8
[M+K]+ 288.076328 161.0
[M+H-H2O]+ 232.110430 152.8
[M+HCOO]- 294.111371 169.3
[M+CH3COO]- 308.127021 187.0
[M+Na-2H]- 270.087836 159.1
[M]+ 249.11262142 158.5
[M]- 249.11371858 158.5
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.