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]+ 185.153606 136.2
[M+Na]+ 207.135548 140.3
[M-H]- 183.139054 140.6
[M+NH4]+ 202.180153 144.8
[M+K]+ 223.109488 144.6
[M+H-H2O]+ 167.143590 124.4
[M+HCOO]- 229.144531 151.7
[M+CH3COO]- 243.160181 193.0
[M+Na-2H]- 205.120996 141.4
[M]+ 184.14578142 151.9
[M]- 184.14687858 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.