CID 113633

104516-97-4

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC1C2CCC(C2)(C1C#N)C

InChI

InChI=1S/C10H15N/c1-7-8-3-4-10(2,5-8)9(7)6-11/h7-9H,3-5H2,1-2H3

InChIKey

BDYGNAKOXIGYCJ-UHFFFAOYSA-N

Compound name

1,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 149.12045 Da
Monoisotopic Mass: 2.8
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	132.9
[M+Na]+	172.10967	142.2
[M+NH4]+	167.15427	140.7
[M+K]+	188.08361	134.3
[M-H]-	148.11317	126.7
[M+Na-2H]-	170.09512	134.1
[M]+	149.11990	131.7
[M]-	149.12100	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.