CID 1342

57536-86-4

Structural Information

Molecular Formula
C14H16N2
SMILES
C1CN(CCN1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
InChIKey
VNICFCQJUVFULD-UHFFFAOYSA-N
Compound name
1-naphthalen-1-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

67
References

1158
Patents

212.13135 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 148.2
[M+Na]+ 235.12057 153.6
[M-H]- 211.12407 150.5
[M+NH4]+ 230.16517 163.8
[M+K]+ 251.09451 148.1
[M+H-H2O]+ 195.12861 139.1
[M+HCOO]- 257.12955 163.8
[M+CH3COO]- 271.14520 158.5
[M+Na-2H]- 233.10602 155.2
[M]+ 212.13080 141.1
[M]- 212.13190 141.1
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