CID 7890

2-bromopentane

Structural Information

Molecular Formula
C5H11Br
SMILES
CCCC(C)Br
InChI
InChI=1S/C5H11Br/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
InChIKey
LGAJYTCRJPCZRJ-UHFFFAOYSA-N
Compound name
2-bromopentane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

5
References

1637
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 136.9
[M-H]- 148.997134 129.2
[M+NH4]+ 168.038233 150.7
[M+K]+ 188.967568 127.6
[M+H-H2O]+ 133.001670 127.2
[M+HCOO]- 195.002611 146.5
[M+CH3COO]- 209.018261 176.3
[M+Na-2H]- 170.979076 133.4
[M]+ 150.00386142 144.5
[M]- 150.00495858 144.5
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