CID 10057988

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

Structural Information

Molecular Formula
C11H12N2
SMILES
C1CC(CC2=CC=CC=C21)(C#N)N
InChI
InChI=1S/C11H12N2/c12-8-11(13)6-5-9-3-1-2-4-10(9)7-11/h1-4H,5-7,13H2
InChIKey
QKYRSUCHUDXQME-UHFFFAOYSA-N
Compound name
2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

172.10005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 141.0
[M+Na]+ 195.089268 151.1
[M-H]- 171.092774 144.5
[M+NH4]+ 190.133873 161.6
[M+K]+ 211.063208 144.9
[M+H-H2O]+ 155.097310 129.3
[M+HCOO]- 217.098251 159.0
[M+CH3COO]- 231.113901 152.6
[M+Na-2H]- 193.074716 148.1
[M]+ 172.09950142 132.0
[M]- 172.10059858 132.0
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