CID 23436976

1209459-74-4

Structural Information

Molecular Formula
C8H10BrN
SMILES
CC(C)C1=CC(=CN=C1)Br
InChI
InChI=1S/C8H10BrN/c1-6(2)7-3-8(9)5-10-4-7/h3-6H,1-2H3
InChIKey
CBHRRNLHWWFNCS-UHFFFAOYSA-N
Compound name
3-bromo-5-propan-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

198.99966 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 133.4
[M+Na]+ 221.98888 145.2
[M-H]- 197.99238 138.7
[M+NH4]+ 217.03348 155.3
[M+K]+ 237.96282 134.9
[M+H-H2O]+ 181.99692 133.6
[M+HCOO]- 243.99786 153.7
[M+CH3COO]- 258.01351 183.5
[M+Na-2H]- 219.97433 141.5
[M]+ 198.99911 152.0
[M]- 199.00021 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe