CID 11713

2-bromopropan-1-ol

Structural Information

Molecular Formula
C3H7BrO
SMILES
CC(CO)Br
InChI
InChI=1S/C3H7BrO/c1-3(4)2-5/h3,5H,2H2,1H3
InChIKey
DBTWOTKWIVISQR-UHFFFAOYSA-N
Compound name
2-bromopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2062
Patents

137.96803 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.97531 119.9
[M+Na]+ 160.95725 121.6
[M+NH4]+ 156.00185 124.9
[M+K]+ 176.93119 122.9
[M-H]- 136.96075 118.3
[M+Na-2H]- 158.94270 121.6
[M]+ 137.96748 118.3
[M]- 137.96858 118.3
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