CID 121552986

1909294-76-3

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(C)(C)O[C@@H]1C[C@H](C12CCC2)O
InChI
InChI=1S/C11H20O2/c1-10(2,3)13-9-7-8(12)11(9)5-4-6-11/h8-9,12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKey
IIVNHPMTFDFXCR-RKDXNWHRSA-N
Compound name
(1R,3R)-3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.14633 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 136.2
[M+Na]+ 207.13555 140.3
[M-H]- 183.13905 140.6
[M+NH4]+ 202.18015 144.8
[M+K]+ 223.10949 144.6
[M+H-H2O]+ 167.14359 124.4
[M+HCOO]- 229.14453 151.7
[M+CH3COO]- 243.16018 193.0
[M+Na-2H]- 205.12100 141.4
[M]+ 184.14578 151.9
[M]- 184.14688 151.9
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.