CID 71565253

1415841-82-5

Structural Information

Molecular Formula
C10H16BrNO2
SMILES
CC(C)(C)OC(=O)N1CCC=C(C1)Br
InChI
InChI=1S/C10H16BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h5H,4,6-7H2,1-3H3
InChIKey
OCGCRVVGDPPGMC-UHFFFAOYSA-N
Compound name
tert-butyl 5-bromo-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.03644 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04372 152.2
[M+Na]+ 284.02566 162.0
[M-H]- 260.02916 156.9
[M+NH4]+ 279.07026 171.7
[M+K]+ 299.99960 152.3
[M+H-H2O]+ 244.03370 152.2
[M+HCOO]- 306.03464 168.2
[M+CH3COO]- 320.05029 191.1
[M+Na-2H]- 282.01111 157.8
[M]+ 261.03589 170.1
[M]- 261.03699 170.1
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.