CID 39462

Brn 2135465

Structural Information

Molecular Formula
C15H25N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)OCCN=C(N)N
InChI
InChI=1S/C15H25N3O/c1-10(2)12-6-5-7-13(11(3)4)14(12)19-9-8-18-15(16)17/h5-7,10-11H,8-9H2,1-4H3,(H4,16,17,18)
InChIKey
FNHHEZUURJRQRR-UHFFFAOYSA-N
Compound name
2-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.19977 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.20705 167.6
[M+Na]+ 286.18899 171.7
[M-H]- 262.19249 171.2
[M+NH4]+ 281.23359 183.7
[M+K]+ 302.16293 170.0
[M+H-H2O]+ 246.19703 159.9
[M+HCOO]- 308.19797 190.8
[M+CH3COO]- 322.21362 211.2
[M+Na-2H]- 284.17444 166.5
[M]+ 263.19922 166.7
[M]- 263.20032 166.7
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.