CID 9245

Norcarane

Structural Information

Molecular Formula
C7H12
SMILES
C1CCC2CC2C1
InChI
InChI=1S/C7H12/c1-2-4-7-5-6(7)3-1/h6-7H,1-5H2
InChIKey
WPHGSKGZRAQSGP-UHFFFAOYSA-N
Compound name
bicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

10945
Patents

96.0939 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.101176 118.9
[M+Na]+ 119.08312 132.0
[M+NH4]+ 114.12772 130.3
[M+K]+ 135.05706 126.5
[M-H]- 95.086624 128.6
[M+Na-2H]- 117.06857 127.5
[M]+ 96.093351 124.6
[M]- 96.094449 124.6
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