CID 10720

Santene

Structural Information

Molecular Formula

C₉H₁₄

SMILES

CC1=C(C2CCC1C2)C

InChI

InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3

InChIKey

LSIXBBPOJBJQHN-UHFFFAOYSA-N

Compound name

2,3-dimethylbicyclo[2.2.1]hept-2-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 4893
Patents: 122.10955 Da
Monoisotopic Mass: 2.2
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]+	123.116826	127.1
[M+Na]+	145.098768	136.0
[M-H]-	121.102274	130.6
[M+NH4]+	140.143373	155.2
[M+K]+	161.072708	134.1
[M+H-H2O]+	105.106810	123.6
[M+HCOO]-	167.107751	149.9
[M+CH3COO]-	181.123401	173.6
[M+Na-2H]-	143.084216	131.2
[M]+	122.10900142	127.1
[M]-	122.11009858	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe