CID 104552

2-(isopropylamino)naphthalene

Structural Information

Molecular Formula
C13H15N
SMILES
CC(C)NC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H15N/c1-10(2)14-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14H,1-2H3
InChIKey
SIZAEFGOHCBUPV-UHFFFAOYSA-N
Compound name
N-propan-2-ylnaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

185.12045 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 140.1
[M+Na]+ 208.10967 147.0
[M-H]- 184.11317 144.5
[M+NH4]+ 203.15427 160.8
[M+K]+ 224.08361 143.8
[M+H-H2O]+ 168.11771 133.8
[M+HCOO]- 230.11865 163.3
[M+CH3COO]- 244.13430 187.6
[M+Na-2H]- 206.09512 147.9
[M]+ 185.11990 139.2
[M]- 185.12100 139.2
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