CID 89030083

147228-48-6

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CCC[C@@H]1C[C@H]1CO

InChI

InChI=1S/C7H14O/c1-2-3-6-4-7(6)5-8/h6-8H,2-5H2,1H3/t6-,7+/m1/s1

InChIKey

HWSZRFHMKHWNEP-RQJHMYQMSA-N

Compound name

[(1R,2R)-2-propylcyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 114.10446 Da
Monoisotopic Mass: 1.8
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]+	115.11174	122.9
[M+Na]+	137.09368	135.2
[M+NH4]+	132.13828	132.2
[M+K]+	153.06762	130.9
[M-H]-	113.09718	130.8
[M+Na-2H]-	135.07913	130.5
[M]+	114.10391	127.9
[M]-	114.10501	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe