CID 84715999

{spiro[2.3]hexan-4-yl}methanol

Structural Information

Molecular Formula
C7H12O
SMILES
C1CC2(C1CO)CC2
InChI
InChI=1S/C7H12O/c8-5-6-1-2-7(6)3-4-7/h6,8H,1-5H2
InChIKey
STQUWXWGDNPXSX-UHFFFAOYSA-N
Compound name
spiro[2.3]hexan-6-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 120.3
[M+Na]+ 135.07803 128.6
[M-H]- 111.08153 126.1
[M+NH4]+ 130.12263 133.9
[M+K]+ 151.05197 129.9
[M+H-H2O]+ 95.086070 111.9
[M+HCOO]- 157.08701 141.0
[M+CH3COO]- 171.10266 173.6
[M+Na-2H]- 133.06348 128.5
[M]+ 112.08826 129.3
[M]- 112.08936 129.3
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.