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
trans-(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]+ 193.022256 130.6
[M+Na]+ 215.004198 137.4
[M-H]- 191.007704 135.8
[M+NH4]+ 210.048803 151.3
[M+K]+ 230.978138 131.6
[M+H-H2O]+ 175.012240 131.9
[M+HCOO]- 237.013181 147.2
[M+CH3COO]- 251.028831 180.0
[M+Na-2H]- 212.989646 136.4
[M]+ 192.01443142 140.3
[M]- 192.01552858 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.