CID 130929238

306934-53-2

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C1CC1[C@H]2C[C@@H]2CCO

InChI

InChI=1S/C8H14O/c9-4-3-7-5-8(7)6-1-2-6/h6-9H,1-5H2/t7-,8+/m0/s1

InChIKey

AEHUKHLOHKICDC-JGVFFNPUSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 126.10446 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]+	127.11174	134.8
[M+Na]+	149.09368	142.5
[M-H]-	125.09718	141.1
[M+NH4]+	144.13828	145.1
[M+K]+	165.06762	140.8
[M+H-H2O]+	109.10172	129.3
[M+HCOO]-	171.10266	154.5
[M+CH3COO]-	185.11831	185.1
[M+Na-2H]-	147.07913	138.8
[M]+	126.10391	137.9
[M]-	126.10501	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.