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

5409
Patents

122.10955 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.11683 125.0
[M+Na]+ 145.09877 135.7
[M+NH4]+ 140.14337 135.9
[M+K]+ 161.07271 132.4
[M-H]- 121.10227 126.6
[M+Na-2H]- 143.08422 128.2
[M]+ 122.10900 126.9
[M]- 122.11010 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe