CID 71777872

Spiro[3.3]heptan-2-ylmethanol

Structural Information

Molecular Formula
C8H14O
SMILES
C1CC2(C1)CC(C2)CO
InChI
InChI=1S/C8H14O/c9-6-7-4-8(5-7)2-1-3-8/h7,9H,1-6H2
InChIKey
GYVSAPVZLUZCBL-UHFFFAOYSA-N
Compound name
spiro[3.3]heptan-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

126.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 118.7
[M+Na]+ 149.09368 123.1
[M-H]- 125.09718 123.1
[M+NH4]+ 144.13828 129.0
[M+K]+ 165.06762 127.1
[M+H-H2O]+ 109.10172 106.7
[M+HCOO]- 171.10266 136.4
[M+CH3COO]- 185.11831 182.6
[M+Na-2H]- 147.07913 125.5
[M]+ 126.10391 132.3
[M]- 126.10501 132.3
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

patents stripe