CID 100917095

215456-06-7

Structural Information

Molecular Formula
C9H13BrN2O
SMILES
C1CC[C@H]([C@@H](C1)N2C=C(C=N2)Br)O
InChI
InChI=1S/C9H13BrN2O/c10-7-5-11-12(6-7)8-3-1-2-4-9(8)13/h5-6,8-9,13H,1-4H2/t8-,9-/m1/s1
InChIKey
GJHKMCHQSPMGNB-RKDXNWHRSA-N
Compound name
(1R,2R)-2-(4-bromopyrazol-1-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.02113 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02841 148.0
[M+Na]+ 267.01035 158.3
[M-H]- 243.01385 153.2
[M+NH4]+ 262.05495 167.6
[M+K]+ 282.98429 147.4
[M+H-H2O]+ 227.01839 147.1
[M+HCOO]- 289.01933 164.6
[M+CH3COO]- 303.03498 185.3
[M+Na-2H]- 264.99580 152.2
[M]+ 244.02058 162.2
[M]- 244.02168 162.2
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.