CID 64689351

Tert-butyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC(C(=O)OC(C)(C)C)N1CCCC1CO
InChI
InChI=1S/C12H23NO3/c1-9(11(15)16-12(2,3)4)13-7-5-6-10(13)8-14/h9-10,14H,5-8H2,1-4H3
InChIKey
GFJULGYGNXOOKE-UHFFFAOYSA-N
Compound name
tert-butyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1678 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.17508 156.6
[M+Na]+ 252.15702 161.3
[M-H]- 228.16052 156.8
[M+NH4]+ 247.20162 174.5
[M+K]+ 268.13096 160.7
[M+H-H2O]+ 212.16506 151.0
[M+HCOO]- 274.16600 172.5
[M+CH3COO]- 288.18165 188.2
[M+Na-2H]- 250.14247 156.3
[M]+ 229.16725 156.2
[M]- 229.16835 156.2
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

No patent data available for this compound.