CID 122240060

5-bromo-4,4-dimethylpent-1-yne

Structural Information

Molecular Formula
C7H11Br
SMILES
CC(C)(CC#C)CBr
InChI
InChI=1S/C7H11Br/c1-4-5-7(2,3)6-8/h1H,5-6H2,2-3H3
InChIKey
XNXIEFGGXNNXRJ-UHFFFAOYSA-N
Compound name
5-bromo-4,4-dimethylpent-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00441 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01169 129.1
[M+Na]+ 196.99363 142.4
[M-H]- 172.99713 130.8
[M+NH4]+ 192.03823 150.8
[M+K]+ 212.96757 131.9
[M+H-H2O]+ 157.00167 124.7
[M+HCOO]- 219.00261 146.0
[M+CH3COO]- 233.01826 188.2
[M+Na-2H]- 194.97908 136.7
[M]+ 174.00386 141.3
[M]- 174.00496 141.3
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.