CID 113634

104516-98-5

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC1CC2CC1C(C2C#N)C

InChI

InChI=1S/C10H15N/c1-6-3-8-4-9(6)7(2)10(8)5-11/h6-10H,3-4H2,1-2H3

InChIKey

ATDWYOCIMWIYAC-UHFFFAOYSA-N

Compound name

3,5-dimethylbicyclo[2.2.1]heptane-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 149.12045 Da
Monoisotopic Mass: 2.7
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	133.5
[M+Na]+	172.10967	143.0
[M+NH4]+	167.15427	140.0
[M+K]+	188.08361	136.7
[M-H]-	148.11317	127.4
[M+Na-2H]-	170.09512	133.2
[M]+	149.11990	132.2
[M]-	149.12100	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe