CID 66733597

181295-78-3

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)N1CC(=C)C[C@H]1CO
InChI
InChI=1S/C11H19NO3/c1-8-5-9(7-13)12(6-8)10(14)15-11(2,3)4/h9,13H,1,5-7H2,2-4H3/t9-/m0/s1
InChIKey
LEQFXSMBUFJQLZ-VIFPVBQESA-N
Compound name
tert-butyl (2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

213.13649 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 150.3
[M+Na]+ 236.12571 157.0
[M-H]- 212.12921 151.1
[M+NH4]+ 231.17031 169.3
[M+K]+ 252.09965 155.6
[M+H-H2O]+ 196.13375 145.3
[M+HCOO]- 258.13469 167.7
[M+CH3COO]- 272.15034 184.0
[M+Na-2H]- 234.11116 151.2
[M]+ 213.13594 149.8
[M]- 213.13704 149.8
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