CID 126763942

2-tert-butylcyclobutan-1-ol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CC(C)(C)C1CCC1O

InChI

InChI=1S/C8H16O/c1-8(2,3)6-4-5-7(6)9/h6-7,9H,4-5H2,1-3H3

InChIKey

RKCHBHNJBGMYSG-UHFFFAOYSA-N

Compound name

2-tert-butylcyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 128.12012 Da
Monoisotopic Mass: 2.1
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]+	129.12740	128.4
[M+Na]+	151.10934	134.3
[M+NH4]+	146.15394	133.1
[M+K]+	167.08328	131.5
[M-H]-	127.11284	126.3
[M+Na-2H]-	149.09479	130.5
[M]+	128.11957	127.5
[M]-	128.12067	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe