CID 14907427

Rac-2-[(1r,2r)-2-ethylcyclopropyl]ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CC[C@@H]1C[C@@H]1CCO

InChI

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

InChIKey

IPKMDCPNAOYUEB-RQJHMYQMSA-N

Compound name

2-[(1R,2R)-2-ethylcyclopropyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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	123.4
[M+Na]+	137.09368	132.7
[M-H]-	113.09718	127.0
[M+NH4]+	132.13828	141.1
[M+K]+	153.06762	130.6
[M+H-H2O]+	97.101720	118.2
[M+HCOO]-	159.10266	146.0
[M+CH3COO]-	173.11831	172.9
[M+Na-2H]-	135.07913	129.6
[M]+	114.10391	126.2
[M]-	114.10501	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe