CID 132354047

2138112-98-6

Structural Information

Molecular Formula
C10H15Cl2NO3
SMILES
CC(C)(C)OC(=O)N1CCOC2C1C2(Cl)Cl
InChI
InChI=1S/C10H15Cl2NO3/c1-9(2,3)16-8(14)13-4-5-15-7-6(13)10(7,11)12/h6-7H,4-5H2,1-3H3
InChIKey
JLWRJJDYEVBMPJ-UHFFFAOYSA-N
Compound name
tert-butyl 7,7-dichloro-2-oxa-5-azabicyclo[4.1.0]heptane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.0429 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.05018 156.1
[M+Na]+ 290.03212 166.3
[M-H]- 266.03562 159.9
[M+NH4]+ 285.07672 169.9
[M+K]+ 306.00606 163.9
[M+H-H2O]+ 250.04016 152.2
[M+HCOO]- 312.04110 162.2
[M+CH3COO]- 326.05675 195.6
[M+Na-2H]- 288.01757 161.6
[M]+ 267.04235 162.8
[M]- 267.04345 162.8
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.