CID 174109

78103-84-1

Structural Information

Molecular Formula
C13H15N
SMILES
CC1(CCC(C2=CC=CC=C21)C#N)C
InChI
InChI=1S/C13H15N/c1-13(2)8-7-10(9-14)11-5-3-4-6-12(11)13/h3-6,10H,7-8H2,1-2H3
InChIKey
KVCDGRBBCSUPPR-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

185.12045 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.127726 142.9
[M+Na]+ 208.109668 154.0
[M-H]- 184.113174 147.2
[M+NH4]+ 203.154273 164.0
[M+K]+ 224.083608 147.6
[M+H-H2O]+ 168.117710 131.5
[M+HCOO]- 230.118651 160.2
[M+CH3COO]- 244.134301 196.4
[M+Na-2H]- 206.095116 149.4
[M]+ 185.11990142 136.4
[M]- 185.12099858 136.4
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