CID 155971311

Tert-butyl 3-(2-hydroxy-2-methylpropyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)CC(C)(C)O
InChI
InChI=1S/C12H23NO3/c1-11(2,3)16-10(14)13-7-9(8-13)6-12(4,5)15/h9,15H,6-8H2,1-5H3
InChIKey
KQKKCSGNMNTPCA-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-hydroxy-2-methylpropyl)azetidine-1-carboxylate
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 157.3
[M+Na]+ 252.15702 161.5
[M-H]- 228.16052 157.9
[M+NH4]+ 247.20162 167.4
[M+K]+ 268.13096 164.1
[M+H-H2O]+ 212.16506 147.0
[M+HCOO]- 274.16600 171.5
[M+CH3COO]- 288.18165 192.2
[M+Na-2H]- 250.14247 160.0
[M]+ 229.16725 167.1
[M]- 229.16835 167.1
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.