CID 5464167

(s)-1-bromo-2-methylbutane

Structural Information

Molecular Formula
C5H11Br
SMILES
CC[C@H](C)CBr
InChI
InChI=1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKey
XKVLZBNEPALHIO-YFKPBYRVSA-N
Compound name
(2S)-1-bromo-2-methylbutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1737
Patents

150.00441 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.01169 125.9
[M+Na]+ 172.99363 136.9
[M-H]- 148.99713 129.2
[M+NH4]+ 168.03823 150.7
[M+K]+ 188.96757 127.6
[M+H-H2O]+ 133.00167 127.2
[M+HCOO]- 195.00261 146.5
[M+CH3COO]- 209.01826 176.3
[M+Na-2H]- 170.97908 133.4
[M]+ 150.00386 144.5
[M]- 150.00496 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