CID 167714810

1-(3-bromopropyl)cyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C7H10BrN
SMILES
C1CC1(CCCBr)C#N
InChI
InChI=1S/C7H10BrN/c8-5-1-2-7(6-9)3-4-7/h1-5H2
InChIKey
KOUYWRWBKLVMKY-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.99966 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.00694 130.1
[M+Na]+ 209.98888 148.8
[M-H]- 185.99238 137.9
[M+NH4]+ 205.03348 150.4
[M+K]+ 225.96282 135.4
[M+H-H2O]+ 169.99692 126.9
[M+HCOO]- 231.99786 151.9
[M+CH3COO]- 246.01351 195.1
[M+Na-2H]- 207.97433 140.4
[M]+ 186.99911 146.0
[M]- 187.00021 146.0
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.