CID 93723

Alpha-cyclogeranylnitrile

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC1=CCCC(C1CC#N)(C)C

InChI

InChI=1S/C11H17N/c1-9-5-4-7-11(2,3)10(9)6-8-12/h5,10H,4,6-7H2,1-3H3

InChIKey

DVISWOPVEBTPRG-UHFFFAOYSA-N

Compound name

2-(2,6,6-trimethylcyclohex-2-en-1-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 163.1361 Da
Monoisotopic Mass: 2.5
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]+	164.14338	134.8
[M+Na]+	186.12532	144.8
[M-H]-	162.12882	138.7
[M+NH4]+	181.16992	156.0
[M+K]+	202.09926	141.3
[M+H-H2O]+	146.13336	124.2
[M+HCOO]-	208.13430	152.9
[M+CH3COO]-	222.14995	193.5
[M+Na-2H]-	184.11077	140.0
[M]+	163.13555	129.0
[M]-	163.13665	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe