CID 12415

1-bromo-2,2-dimethylpropane

Structural Information

Molecular Formula
C5H11Br
SMILES
CC(C)(C)CBr
InChI
InChI=1S/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3
InChIKey
CQWYAXCOVZKLHY-UHFFFAOYSA-N
Compound name
1-bromo-2,2-dimethylpropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

1803
Patents

150.00441 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.011686 125.9
[M+Na]+ 172.993628 137.7
[M-H]- 148.997134 129.6
[M+NH4]+ 168.038233 151.1
[M+K]+ 188.967568 128.4
[M+H-H2O]+ 133.001670 127.9
[M+HCOO]- 195.002611 146.1
[M+CH3COO]- 209.018261 175.2
[M+Na-2H]- 170.979076 135.1
[M]+ 150.00386142 144.7
[M]- 150.00495858 144.7
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