CID 50986451

Tert-butyl 7,7-difluoro-2,5-diazabicyclo[4.1.0]heptane-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H16F2N2O2
SMILES
CC(C)(C)OC(=O)N1CCNC2C1C2(F)F
InChI
InChI=1S/C10H16F2N2O2/c1-9(2,3)16-8(15)14-5-4-13-6-7(14)10(6,11)12/h6-7,13H,4-5H2,1-3H3
InChIKey
OAFFMNISYRLCSH-UHFFFAOYSA-N
Compound name
tert-butyl 7,7-difluoro-2,5-diazabicyclo[4.1.0]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11798 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12526 157.4
[M+Na]+ 257.10720 167.0
[M-H]- 233.11070 156.0
[M+NH4]+ 252.15180 170.5
[M+K]+ 273.08114 163.6
[M+H-H2O]+ 217.11524 150.2
[M+HCOO]- 279.11618 168.9
[M+CH3COO]- 293.13183 190.9
[M+Na-2H]- 255.09265 161.2
[M]+ 234.11743 156.2
[M]- 234.11853 156.2
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.