CID 132327588

Tert-butyl 3-amino-2-(oxan-4-yl)propanoate

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC(C)(C)OC(=O)C(CN)C1CCOCC1
InChI
InChI=1S/C12H23NO3/c1-12(2,3)16-11(14)10(8-13)9-4-6-15-7-5-9/h9-10H,4-8,13H2,1-3H3
InChIKey
MXGVEVVBSGUZSO-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-2-(oxan-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1678 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.17508 156.1
[M+Na]+ 252.15702 158.6
[M-H]- 228.16052 158.5
[M+NH4]+ 247.20162 172.0
[M+K]+ 268.13096 159.5
[M+H-H2O]+ 212.16506 150.1
[M+HCOO]- 274.16600 172.2
[M+CH3COO]- 288.18165 191.7
[M+Na-2H]- 250.14247 158.4
[M]+ 229.16725 153.4
[M]- 229.16835 153.4
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.