CID 638184

68522-08-7

Structural Information

Molecular Formula
C7H13BrO
SMILES
C1CC[C@H]([C@@H](CC1)Br)O
InChI
InChI=1S/C7H13BrO/c8-6-4-2-1-3-5-7(6)9/h6-7,9H,1-5H2/t6-,7-/m1/s1
InChIKey
ZVAKWPYIARQXGC-RNFRBKRXSA-N
Compound name
(1R,2R)-2-bromocycloheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.01498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02226 130.6
[M+Na]+ 215.00420 137.4
[M-H]- 191.00770 135.8
[M+NH4]+ 210.04880 151.3
[M+K]+ 230.97814 131.6
[M+H-H2O]+ 175.01224 131.9
[M+HCOO]- 237.01318 147.2
[M+CH3COO]- 251.02883 180.0
[M+Na-2H]- 212.98965 136.4
[M]+ 192.01443 140.3
[M]- 192.01553 140.3
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

No patent data available for this compound.