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
3
Annotation Hits

22
References

12565
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 119.2
[M+Na]+ 119.08312 127.4
[M-H]- 95.086624 124.3
[M+NH4]+ 114.12772 138.6
[M+K]+ 135.05706 125.9
[M+H-H2O]+ 79.091160 113.7
[M+HCOO]- 141.09210 140.2
[M+CH3COO]- 155.10775 170.6
[M+Na-2H]- 117.06857 127.6
[M]+ 96.093351 117.9
[M]- 96.094449 117.9
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