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

65
Patents

213.13649 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.143766 150.3
[M+Na]+ 236.125708 157.0
[M-H]- 212.129214 151.1
[M+NH4]+ 231.170313 169.3
[M+K]+ 252.099648 155.6
[M+H-H2O]+ 196.133750 145.3
[M+HCOO]- 258.134691 167.7
[M+CH3COO]- 272.150341 184.0
[M+Na-2H]- 234.111156 151.2
[M]+ 213.13594142 149.8
[M]- 213.13703858 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