CID 13245696

1-bicyclo[2.1.1]hexanylmethanol

Structural Information

Molecular Formula
C7H12O
SMILES
C1CC2(CC1C2)CO
InChI
InChI=1S/C7H12O/c8-5-7-2-1-6(3-7)4-7/h6,8H,1-5H2
InChIKey
DROLRKKVQRWUJY-UHFFFAOYSA-N
Compound name
1-bicyclo[2.1.1]hexanylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 129.0
[M+Na]+ 135.07803 135.5
[M-H]- 111.08153 129.3
[M+NH4]+ 130.12263 153.6
[M+K]+ 151.05197 136.1
[M+H-H2O]+ 95.086070 123.2
[M+HCOO]- 157.08701 146.8
[M+CH3COO]- 171.10266 171.9
[M+Na-2H]- 133.06348 137.4
[M]+ 112.08826 140.0
[M]- 112.08936 140.0
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

patents stripe