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

95
Patents

157.08914 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe