CID 10877140

Rac-[(1r,2r)-2-tert-butylcyclopropyl]methanol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CC(C)(C)[C@@H]1C[C@H]1CO

InChI

InChI=1S/C8H16O/c1-8(2,3)7-4-6(7)5-9/h6-7,9H,4-5H2,1-3H3/t6-,7+/m0/s1

InChIKey

YDZZGNVEEWKQCQ-NKWVEPMBSA-N

Compound name

[(1R,2R)-2-tert-butylcyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 128.12012 Da
Monoisotopic Mass: 1.9
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]+	129.127396	127.4
[M+Na]+	151.109338	136.8
[M-H]-	127.112844	131.2
[M+NH4]+	146.153943	144.8
[M+K]+	167.083278	134.8
[M+H-H2O]+	111.117380	122.9
[M+HCOO]-	173.118321	148.3
[M+CH3COO]-	187.133971	175.4
[M+Na-2H]-	149.094786	133.7
[M]+	128.11957142	130.1
[M]-	128.12066858	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.