CID 175400

Octahydro-4,7-methano-1h-indenecarbonitrile

Structural Information

Molecular Formula
C11H15N
SMILES
C1CC2CC1C3C2C(CC3)C#N
InChI
InChI=1S/C11H15N/c12-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h7-11H,1-5H2
InChIKey
IUOQVUZRLHVXPM-UHFFFAOYSA-N
Compound name
tricyclo[5.2.1.02,6]decane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

161.12045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 140.7
[M+Na]+ 184.10967 151.5
[M-H]- 160.11317 144.2
[M+NH4]+ 179.15427 166.6
[M+K]+ 200.08361 144.0
[M+H-H2O]+ 144.11771 130.4
[M+HCOO]- 206.11865 157.5
[M+CH3COO]- 220.13430 152.9
[M+Na-2H]- 182.09512 142.1
[M]+ 161.11990 133.8
[M]- 161.12100 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.