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

89
Patents

215.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 144.3
[M+Na]+ 238.14137 147.1
[M-H]- 214.14487 145.7
[M+NH4]+ 233.18597 159.9
[M+K]+ 254.11531 151.2
[M+H-H2O]+ 198.14941 138.7
[M+HCOO]- 260.15035 159.1
[M+CH3COO]- 274.16600 185.7
[M+Na-2H]- 236.12682 147.1
[M]+ 215.15160 139.0
[M]- 215.15270 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