CID 11344150

1,2,3,4-tetrahydronaphthalene-2-carbonitrile

Structural Information

Molecular Formula
C11H11N
SMILES
C1CC2=CC=CC=C2CC1C#N
InChI
InChI=1S/C11H11N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,9H,5-7H2
InChIKey
COWCJTPCHIGSPT-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydronaphthalene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

157.08914 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe