CID 146049542

2411250-35-4

Structural Information

Molecular Formula
C12H20BrNO3
SMILES
CC(C)(C)OC(=O)NC12CCC(C1)(OC2)CBr
InChI
InChI=1S/C12H20BrNO3/c1-10(2,3)17-9(15)14-11-4-5-12(6-11,7-13)16-8-11/h4-8H2,1-3H3,(H,14,15)
InChIKey
FLMKRDXMFGUPPE-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(bromomethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.06265 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.06993 168.3
[M+Na]+ 328.05187 177.7
[M-H]- 304.05537 173.9
[M+NH4]+ 323.09647 193.9
[M+K]+ 344.02581 169.0
[M+H-H2O]+ 288.05991 171.1
[M+HCOO]- 350.06085 184.6
[M+CH3COO]- 364.07650 198.3
[M+Na-2H]- 326.03732 175.6
[M]+ 305.06210 188.4
[M]- 305.06320 188.4
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.