CID 29740

1-bromopropan-2-ol

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

4
References

3186
Patents

137.96803 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.975306 120.6
[M+Na]+ 160.957248 131.9
[M-H]- 136.960754 122.8
[M+NH4]+ 156.001853 145.1
[M+K]+ 176.931188 122.5
[M+H-H2O]+ 120.965290 122.1
[M+HCOO]- 182.966231 140.6
[M+CH3COO]- 196.981881 169.8
[M+Na-2H]- 158.942696 128.5
[M]+ 137.96748142 138.0
[M]- 137.96857858 138.0
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