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
2
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]+ 186.12773 142.8
[M+Na]+ 208.10967 156.1
[M+NH4]+ 203.15427 150.8
[M+K]+ 224.08361 143.3
[M-H]- 184.11317 139.3
[M+Na-2H]- 206.09512 148.3
[M]+ 185.11990 143.2
[M]- 185.12100 143.2
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