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]+ 179.006606 132.2
[M+Na]+ 200.988548 145.6
[M-H]- 176.992054 138.6
[M+NH4]+ 196.033153 151.1
[M+K]+ 216.962488 134.5
[M+H-H2O]+ 160.996590 132.8
[M+HCOO]- 222.997531 151.3
[M+CH3COO]- 237.013181 180.8
[M+Na-2H]- 198.973996 140.1
[M]+ 177.99878142 151.6
[M]- 177.99987858 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.