CID 153940790

Tert-butyl 2,2-bis(hydroxymethyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)(C)OC(=O)N1CCCC1(CO)CO
InChI
InChI=1S/C11H21NO4/c1-10(2,3)16-9(15)12-6-4-5-11(12,7-13)8-14/h13-14H,4-8H2,1-3H3
InChIKey
OJACPWBUNQMKCF-UHFFFAOYSA-N
Compound name
tert-butyl 2,2-bis(hydroxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

231.14706 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 154.5
[M+Na]+ 254.13628 160.3
[M-H]- 230.13978 153.7
[M+NH4]+ 249.18088 173.8
[M+K]+ 270.11022 159.4
[M+H-H2O]+ 214.14432 150.3
[M+HCOO]- 276.14526 170.4
[M+CH3COO]- 290.16091 182.8
[M+Na-2H]- 252.12173 157.1
[M]+ 231.14651 154.2
[M]- 231.14761 154.2
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