CID 58490

101517-09-3

Structural Information

Molecular Formula
C13H15N3O
SMILES
COC1=CC=C(C2=CC=CC=C21)CN=C(N)N
InChI
InChI=1S/C13H15N3O/c1-17-12-7-6-9(8-16-13(14)15)10-4-2-3-5-11(10)12/h2-7H,8H2,1H3,(H4,14,15,16)
InChIKey
IYYRLTJZXPXZGC-UHFFFAOYSA-N
Compound name
2-[(4-methoxynaphthalen-1-yl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12878 150.1
[M+Na]+ 252.11072 157.0
[M-H]- 228.11422 155.1
[M+NH4]+ 247.15532 168.6
[M+K]+ 268.08466 154.0
[M+H-H2O]+ 212.11876 142.8
[M+HCOO]- 274.11970 175.9
[M+CH3COO]- 288.13535 200.8
[M+Na-2H]- 250.09617 156.3
[M]+ 229.12095 148.7
[M]- 229.12205 148.7
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.