CID 39460

Brn 1975313

Structural Information

Molecular Formula
C13H15N3O
SMILES
C1=CC=C2C(=C1)C=CC=C2OCCN=C(N)N
InChI
InChI=1S/C13H15N3O/c14-13(15)16-8-9-17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H4,14,15,16)
InChIKey
LEMUEHIDYNANGQ-UHFFFAOYSA-N
Compound name
2-(2-naphthalen-1-yloxyethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1215 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12878 149.3
[M+Na]+ 252.11072 155.3
[M-H]- 228.11422 153.9
[M+NH4]+ 247.15532 167.5
[M+K]+ 268.08466 152.2
[M+H-H2O]+ 212.11876 141.8
[M+HCOO]- 274.11970 175.2
[M+CH3COO]- 288.13535 199.6
[M+Na-2H]- 250.09617 156.4
[M]+ 229.12095 147.6
[M]- 229.12205 147.6
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.