CID 45088797

439691-87-9

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CN1CC2=C(C1)C=C(C=C2)CO

InChI

InChI=1S/C10H13NO/c1-11-5-9-3-2-8(7-12)4-10(9)6-11/h2-4,12H,5-7H2,1H3

InChIKey

YXTIRMSQZFHDIZ-UHFFFAOYSA-N

Compound name

(2-methyl-1,3-dihydroisoindol-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 163.09972 Da
Monoisotopic Mass: 0.4
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]+	164.106996	134.2
[M+Na]+	186.088938	143.1
[M-H]-	162.092444	136.3
[M+NH4]+	181.133543	156.3
[M+K]+	202.062878	140.0
[M+H-H2O]+	146.096980	128.6
[M+HCOO]-	208.097921	155.1
[M+CH3COO]-	222.113571	176.3
[M+Na-2H]-	184.074386	139.7
[M]+	163.09917142	133.5
[M]-	163.10026858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe