CID 137951412

2169408-36-8

Structural Information

Molecular Formula
C11H16BrNO4
SMILES
CC(C)(C)OC(=O)N1C=C(CCC1C(=O)O)Br
InChI
InChI=1S/C11H16BrNO4/c1-11(2,3)17-10(16)13-6-7(12)4-5-8(13)9(14)15/h6,8H,4-5H2,1-3H3,(H,14,15)
InChIKey
GAVKWICCZPSJSU-UHFFFAOYSA-N
Compound name
5-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.02628 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.03356 159.7
[M+Na]+ 328.01550 169.0
[M-H]- 304.01900 163.1
[M+NH4]+ 323.06010 176.6
[M+K]+ 343.98944 159.2
[M+H-H2O]+ 288.02354 159.5
[M+HCOO]- 350.02448 173.5
[M+CH3COO]- 364.04013 196.6
[M+Na-2H]- 326.00095 162.8
[M]+ 305.02573 177.8
[M]- 305.02683 177.8
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.