CID 83911319

Tert-butyl 3-formylazepane-1-carboxylate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)N1CCCCC(C1)C=O
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-7-5-4-6-10(8-13)9-14/h9-10H,4-8H2,1-3H3
InChIKey
UQFCEVAYWBVYJX-UHFFFAOYSA-N
Compound name
tert-butyl 3-formylazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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 151.1
[M+Na]+ 250.14137 158.0
[M+NH4]+ 245.18597 156.5
[M+K]+ 266.11531 155.6
[M-H]- 226.14487 150.0
[M+Na-2H]- 248.12682 153.7
[M]+ 227.15160 151.5
[M]- 227.15270 151.5
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