CID 15129467

(pentamethylcyclopropyl)methanol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC1(C(C1(C)CO)(C)C)C

InChI

InChI=1S/C9H18O/c1-7(2)8(3,4)9(7,5)6-10/h10H,6H2,1-5H3

InChIKey

CCFXDKTUHPIGAN-UHFFFAOYSA-N

Compound name

(1,2,2,3,3-pentamethylcyclopropyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 142.13577 Da
Monoisotopic Mass: 2.3
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]+	143.143046	128.2
[M+Na]+	165.124988	139.5
[M-H]-	141.128494	133.1
[M+NH4]+	160.169593	150.7
[M+K]+	181.098928	139.7
[M+H-H2O]+	125.133030	127.2
[M+HCOO]-	187.133971	149.0
[M+CH3COO]-	201.149621	179.2
[M+Na-2H]-	163.110436	136.3
[M]+	142.13522142	133.7
[M]-	142.13631858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe