CID 101870

5-methylbicyclo[2.2.1]hept-2-ene

Structural Information

Molecular Formula
C8H12
SMILES
CC1CC2CC1C=C2
InChI
InChI=1S/C8H12/c1-6-4-7-2-3-8(6)5-7/h2-3,6-8H,4-5H2,1H3
InChIKey
PCBPVYHMZBWMAZ-UHFFFAOYSA-N
Compound name
5-methylbicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16252
Patents

108.0939 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.10118 121.1
[M+Na]+ 131.08312 131.7
[M+NH4]+ 126.12772 132.2
[M+K]+ 147.05706 128.4
[M-H]- 107.08662 122.8
[M+Na-2H]- 129.06857 124.8
[M]+ 108.09335 123.0
[M]- 108.09445 123.0
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

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