CID 2794252

1-pyrenemethylamine hydrochloride

Structural Information

Molecular Formula
C17H13N
SMILES
C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CN
InChI
InChI=1S/C17H13N/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-9H,10,18H2
InChIKey
TZNXEWGKCWPLQI-UHFFFAOYSA-N
Compound name
pyren-1-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

574
Patents

231.1048 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11208 150.2
[M+Na]+ 254.09402 160.0
[M-H]- 230.09752 155.2
[M+NH4]+ 249.13862 171.5
[M+K]+ 270.06796 153.8
[M+H-H2O]+ 214.10206 142.8
[M+HCOO]- 276.10300 171.8
[M+CH3COO]- 290.11865 163.2
[M+Na-2H]- 252.07947 161.4
[M]+ 231.10425 152.2
[M]- 231.10535 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.