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

49
Patents

157.08914 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09642 134.1
[M+Na]+ 180.07836 144.0
[M-H]- 156.08186 137.8
[M+NH4]+ 175.12296 154.1
[M+K]+ 196.05230 138.4
[M+H-H2O]+ 140.08640 122.3
[M+HCOO]- 202.08734 151.9
[M+CH3COO]- 216.10299 146.2
[M+Na-2H]- 178.06381 141.4
[M]+ 157.08859 126.4
[M]- 157.08969 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