CID 9233

Norbornane

Structural Information

Molecular Formula
C7H12
SMILES
C1CC2CCC1C2
InChI
InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2
InChIKey
UMRZSTCPUPJPOJ-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

109
References

143488
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 121.0
[M+Na]+ 119.08312 127.9
[M-H]- 95.086624 123.7
[M+NH4]+ 114.12772 149.3
[M+K]+ 135.05706 126.8
[M+H-H2O]+ 79.091160 117.0
[M+HCOO]- 141.09210 143.0
[M+CH3COO]- 155.10775 135.5
[M+Na-2H]- 117.06857 126.3
[M]+ 96.093351 118.0
[M]- 96.094449 118.0
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

patents stripe