CID 46189182

1-{benzo[h]quinolin-2-yl}methanamine hydrochloride

Structural Information

Molecular Formula
C14H12N2
SMILES
C1=CC=C2C(=C1)C=CC3=C2N=C(C=C3)CN
InChI
InChI=1S/C14H12N2/c15-9-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)16-12/h1-8H,9,15H2
InChIKey
DTWJGAQTCZPPJI-UHFFFAOYSA-N
Compound name
benzo[h]quinolin-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

59
Patents

208.10005 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10733 143.1
[M+Na]+ 231.08927 153.4
[M-H]- 207.09277 147.3
[M+NH4]+ 226.13387 162.6
[M+K]+ 247.06321 147.8
[M+H-H2O]+ 191.09731 135.6
[M+HCOO]- 253.09825 166.3
[M+CH3COO]- 267.11390 156.5
[M+Na-2H]- 229.07472 154.2
[M]+ 208.09950 143.4
[M]- 208.10060 143.4
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