CID 130764052

Tert-butyl 3-(hydroxymethyl)-3-(prop-2-en-1-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CC=C)CO
InChI
InChI=1S/C12H21NO3/c1-5-6-12(9-14)7-13(8-12)10(15)16-11(2,3)4/h5,14H,1,6-9H2,2-4H3
InChIKey
UMLDFVRBFXMCLB-UHFFFAOYSA-N
Compound name
tert-butyl 3-(hydroxymethyl)-3-prop-2-enylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 156.7
[M+Na]+ 250.14137 161.6
[M-H]- 226.14487 157.3
[M+NH4]+ 245.18597 168.6
[M+K]+ 266.11531 163.3
[M+H-H2O]+ 210.14941 147.3
[M+HCOO]- 272.15035 172.5
[M+CH3COO]- 286.16600 190.4
[M+Na-2H]- 248.12682 159.7
[M]+ 227.15160 166.7
[M]- 227.15270 166.7
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

No patent data available for this compound.