CID 67064889

Dtxsid30889163

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC1CC(CC1=CC#N)(C)C

InChI

InChI=1S/C10H15N/c1-8-6-10(2,3)7-9(8)4-5-11/h4,8H,6-7H2,1-3H3

InChIKey

CSISIDNSBDDZDK-UHFFFAOYSA-N

Compound name

2-(2,4,4-trimethylcyclopentylidene)acetonitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 8
Patents: 149.12045 Da
Monoisotopic Mass: 2.4
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]+	150.12773	132.5
[M+Na]+	172.10967	143.2
[M-H]-	148.11317	136.4
[M+NH4]+	167.15427	155.7
[M+K]+	188.08361	139.1
[M+H-H2O]+	132.11771	122.1
[M+HCOO]-	194.11865	151.6
[M+CH3COO]-	208.13430	189.5
[M+Na-2H]-	170.09512	136.1
[M]+	149.11990	126.3
[M]-	149.12100	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe