CID 122164283

[(1r,3r,5s)-bicyclo[3.1.0]hexan-3-yl]methanol

Structural Information

Molecular Formula
C7H12O
SMILES
C1[C@H]2[C@@H]1CC(C2)CO
InChI
InChI=1S/C7H12O/c8-4-5-1-6-3-7(6)2-5/h5-8H,1-4H2/t5?,6-,7+
InChIKey
UPIIUAPEQOCMGL-DGUCWDHESA-N
Compound name
[(1R,5S)-3-bicyclo[3.1.0]hexanyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.08881 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 121.5
[M+Na]+ 135.07803 131.3
[M-H]- 111.08153 125.7
[M+NH4]+ 130.12263 141.7
[M+K]+ 151.05197 128.4
[M+H-H2O]+ 95.086070 117.0
[M+HCOO]- 157.08701 143.0
[M+CH3COO]- 171.10266 170.7
[M+Na-2H]- 133.06348 127.6
[M]+ 112.08826 122.4
[M]- 112.08936 122.4
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.