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

4
Patents

112.08881 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.096086 129.0
[M+Na]+ 135.078028 135.5
[M-H]- 111.081534 129.3
[M+NH4]+ 130.122633 153.6
[M+K]+ 151.051968 136.1
[M+H-H2O]+ 95.086070 123.2
[M+HCOO]- 157.087011 146.8
[M+CH3COO]- 171.102661 171.9
[M+Na-2H]- 133.063476 137.4
[M]+ 112.08826142 140.0
[M]- 112.08935858 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