CID 167724887

2167576-27-2

Structural Information

Molecular Formula
C7H10BrN
SMILES
CC1CC(C1)(CBr)C#N
InChI
InChI=1S/C7H10BrN/c1-6-2-7(3-6,4-8)5-9/h6H,2-4H2,1H3
InChIKey
RPPFKAJFEMVKQQ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-methylcyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.99966 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.00694 117.6
[M+Na]+ 209.98888 130.0
[M-H]- 185.99238 123.2
[M+NH4]+ 205.03348 135.3
[M+K]+ 225.96282 123.2
[M+H-H2O]+ 169.99692 109.3
[M+HCOO]- 231.99786 136.7
[M+CH3COO]- 246.01351 195.6
[M+Na-2H]- 207.97433 126.4
[M]+ 186.99911 136.4
[M]- 187.00021 136.4
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.