CID 84726709

Tert-butyl 6-fluoro-6-methyl-1,4-diazepane-1-carboxylate

Structural Information

Molecular Formula
C11H21FN2O2
SMILES
CC1(CNCCN(C1)C(=O)OC(C)(C)C)F
InChI
InChI=1S/C11H21FN2O2/c1-10(2,3)16-9(15)14-6-5-13-7-11(4,12)8-14/h13H,5-8H2,1-4H3
InChIKey
INRMUIJBJHNDML-UHFFFAOYSA-N
Compound name
tert-butyl 6-fluoro-6-methyl-1,4-diazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1587 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16598 146.6
[M+Na]+ 255.14792 150.6
[M-H]- 231.15142 145.7
[M+NH4]+ 250.19252 162.2
[M+K]+ 271.12186 153.4
[M+H-H2O]+ 215.15596 139.3
[M+HCOO]- 277.15690 158.9
[M+CH3COO]- 291.17255 188.4
[M+Na-2H]- 253.13337 150.1
[M]+ 232.15815 139.6
[M]- 232.15925 139.6
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.