CID 582355

5,6,7,8-tetrahydronaphthalene-1-carbonitrile

Structural Information

Molecular Formula
C11H11N
SMILES
C1CCC2=C(C1)C=CC=C2C#N
InChI
InChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h3,5-6H,1-2,4,7H2
InChIKey
PYPOBLLWIOJZEJ-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydronaphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

157.08914 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.096416 134.1
[M+Na]+ 180.078358 144.0
[M-H]- 156.081864 137.8
[M+NH4]+ 175.122963 154.1
[M+K]+ 196.052298 138.4
[M+H-H2O]+ 140.086400 122.3
[M+HCOO]- 202.087341 151.9
[M+CH3COO]- 216.102991 146.2
[M+Na-2H]- 178.063806 141.4
[M]+ 157.08859142 126.4
[M]- 157.08968858 126.4
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

patents stripe