CID 49612

(3-(2,6-xylyloxy)propyl)guanidine

Structural Information

Molecular Formula
C12H19N3O
SMILES
CC1=C(C(=CC=C1)C)OCCCN=C(N)N
InChI
InChI=1S/C12H19N3O/c1-9-5-3-6-10(2)11(9)16-8-4-7-15-12(13)14/h3,5-6H,4,7-8H2,1-2H3,(H4,13,14,15)
InChIKey
USCPWGVNGIEHFI-UHFFFAOYSA-N
Compound name
2-[3-(2,6-dimethylphenoxy)propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.15282 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.16010 152.5
[M+Na]+ 244.14204 161.9
[M+NH4]+ 239.18664 159.7
[M+K]+ 260.11598 156.0
[M-H]- 220.14554 155.7
[M+Na-2H]- 242.12749 157.7
[M]+ 221.15227 154.4
[M]- 221.15337 154.4
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.