CID 126970862

(2-bromo-2-methylcyclopropyl)methanol

Structural Information

Molecular Formula
C5H9BrO
SMILES
CC1(CC1CO)Br
InChI
InChI=1S/C5H9BrO/c1-5(6)2-4(5)3-7/h4,7H,2-3H2,1H3
InChIKey
DLEUEWUKWDRKGD-UHFFFAOYSA-N
Compound name
(2-bromo-2-methylcyclopropyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.98367 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 126.3
[M+Na]+ 186.97289 140.3
[M-H]- 162.97639 133.0
[M+NH4]+ 182.01749 147.4
[M+K]+ 202.94683 130.1
[M+H-H2O]+ 146.98093 127.9
[M+HCOO]- 208.98187 146.8
[M+CH3COO]- 222.99752 177.4
[M+Na-2H]- 184.95834 135.4
[M]+ 163.98312 146.4
[M]- 163.98422 146.4
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.