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]+ 250.12045 156.6
[M+Na]+ 272.10239 163.7
[M-H]- 248.10589 157.3
[M+NH4]+ 267.14699 176.8
[M+K]+ 288.07633 161.0
[M+H-H2O]+ 232.11043 152.8
[M+HCOO]- 294.11137 169.3
[M+CH3COO]- 308.12702 187.0
[M+Na-2H]- 270.08784 159.1
[M]+ 249.11262 158.5
[M]- 249.11372 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.