CID 97995

6968-75-8

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CC1C2CCC(C2)C1CO

InChI

InChI=1S/C9H16O/c1-6-7-2-3-8(4-7)9(6)5-10/h6-10H,2-5H2,1H3

InChIKey

NMGSGTKBIPOQSD-UHFFFAOYSA-N

Compound name

(3-methyl-2-bicyclo[2.2.1]heptanyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 140.12012 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]+	141.127396	133.0
[M+Na]+	163.109338	140.4
[M-H]-	139.112844	134.6
[M+NH4]+	158.153943	159.5
[M+K]+	179.083278	138.2
[M+H-H2O]+	123.117380	129.6
[M+HCOO]-	185.118321	153.0
[M+CH3COO]-	199.133971	173.3
[M+Na-2H]-	161.094786	135.7
[M]+	140.11957142	131.1
[M]-	140.12066858	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe