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

2
Patents

231.14706 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 154.5
[M+Na]+ 254.136278 160.3
[M-H]- 230.139784 153.7
[M+NH4]+ 249.180883 173.8
[M+K]+ 270.110218 159.4
[M+H-H2O]+ 214.144320 150.3
[M+HCOO]- 276.145261 170.4
[M+CH3COO]- 290.160911 182.8
[M+Na-2H]- 252.121726 157.1
[M]+ 231.14651142 154.2
[M]- 231.14760858 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