CID 86335709

120871-72-9

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)O)CC=C
InChI
InChI=1S/C12H21NO3/c1-5-6-9-7-13(8-10(9)14)11(15)16-12(2,3)4/h5,9-10,14H,1,6-8H2,2-4H3/t9-,10-/m1/s1
InChIKey
XWAFVZGCUNQYNV-NXEZZACHSA-N
Compound name
tert-butyl (3S,4R)-3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

227.15215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 154.9
[M+Na]+ 250.14137 161.2
[M-H]- 226.14487 155.6
[M+NH4]+ 245.18597 173.4
[M+K]+ 266.11531 159.5
[M+H-H2O]+ 210.14941 149.7
[M+HCOO]- 272.15035 172.0
[M+CH3COO]- 286.16600 187.0
[M+Na-2H]- 248.12682 155.3
[M]+ 227.15160 154.7
[M]- 227.15270 154.7
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