CID 71744109

Spiro[3.3]heptan-1-ol

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

C1CC2(C1)CCC2O

InChI

InChI=1S/C7H12O/c8-6-2-5-7(6)3-1-4-7/h6,8H,1-5H2

InChIKey

UUSNBRGUEFLZNW-UHFFFAOYSA-N

Compound name

spiro[3.3]heptan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 112.08881 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	113.096086	114.2
[M+Na]+	135.078028	119.0
[M-H]-	111.081534	118.8
[M+NH4]+	130.122633	125.1
[M+K]+	151.051968	123.3
[M+H-H2O]+	95.086070	102.5
[M+HCOO]-	157.087011	132.3
[M+CH3COO]-	171.102661	180.0
[M+Na-2H]-	133.063476	121.6
[M]+	112.08826142	127.6
[M]-	112.08935858	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe