CID 86691195

918305-73-4

Structural Information

Molecular Formula
C13H17BrN2O2
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C2=CN=C(C=C2)Br
InChI
InChI=1S/C13H17BrN2O2/c1-13(2,3)18-12(17)16-10-6-9(10)8-4-5-11(14)15-7-8/h4-5,7,9-10H,6H2,1-3H3,(H,16,17)/t9-,10+/m0/s1
InChIKey
JHMPRBHRNWAIBF-VHSXEESVSA-N
Compound name
tert-butyl N-[(1R,2S)-2-(6-bromopyridin-3-yl)cyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

312.04733 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.05461 155.7
[M+Na]+ 335.03655 159.3
[M+NH4]+ 330.08115 159.9
[M+K]+ 351.01049 161.5
[M-H]- 311.04005 162.2
[M+Na-2H]- 333.02200 161.3
[M]+ 312.04678 157.9
[M]- 312.04788 157.9
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

patents stripe