CID 22933617

Tert-butyl 3-hydroxyazepane-1-carboxylate

Structural Information

Molecular Formula
C11H21NO3
SMILES
CC(C)(C)OC(=O)N1CCCCC(C1)O
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(13)8-12/h9,13H,4-8H2,1-3H3
InChIKey
YLXNIRRSRXUTCK-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxyazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

215.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.159426 144.3
[M+Na]+ 238.141368 147.1
[M-H]- 214.144874 145.7
[M+NH4]+ 233.185973 159.9
[M+K]+ 254.115308 151.2
[M+H-H2O]+ 198.149410 138.7
[M+HCOO]- 260.150351 159.1
[M+CH3COO]- 274.166001 185.7
[M+Na-2H]- 236.126816 147.1
[M]+ 215.15160142 139.0
[M]- 215.15269858 139.0
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