CID 72207509

1363380-95-3

Structural Information

Molecular Formula
C7H12O2
SMILES
C1C(CC12COC2)CO
InChI
InChI=1S/C7H12O2/c8-3-6-1-7(2-6)4-9-5-7/h6,8H,1-5H2
InChIKey
ZTYBBAUKSKWADO-UHFFFAOYSA-N
Compound name
2-oxaspiro[3.3]heptan-6-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

128.08372 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 113.1
[M+Na]+ 151.07294 117.6
[M-H]- 127.07644 118.1
[M+NH4]+ 146.11754 122.2
[M+K]+ 167.04688 123.4
[M+H-H2O]+ 111.08098 101.2
[M+HCOO]- 173.08192 130.5
[M+CH3COO]- 187.09757 181.6
[M+Na-2H]- 149.05839 121.7
[M]+ 128.08317 128.2
[M]- 128.08427 128.2
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