CID 15697946

134283-91-3

Structural Information

Molecular Formula
C6H11BrO
SMILES
CC(C)([C@@H]1C[C@H]1Br)O
InChI
InChI=1S/C6H11BrO/c1-6(2,8)4-3-5(4)7/h4-5,8H,3H2,1-2H3/t4-,5-/m1/s1
InChIKey
DMZSQXLWJAJGED-RFZPGFLSSA-N
Compound name
2-[(1S,2R)-2-bromocyclopropyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.99933 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 132.2
[M+Na]+ 200.98855 145.6
[M-H]- 176.99205 138.6
[M+NH4]+ 196.03315 151.1
[M+K]+ 216.96249 134.5
[M+H-H2O]+ 160.99659 132.8
[M+HCOO]- 222.99753 151.3
[M+CH3COO]- 237.01318 180.8
[M+Na-2H]- 198.97400 140.1
[M]+ 177.99878 151.6
[M]- 177.99988 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.