CID 39459

(2-(o-cumenyloxy)ethyl)guanidine

Structural Information

Molecular Formula
C12H19N3O
SMILES
CC(C)C1=CC=CC=C1OCCN=C(N)N
InChI
InChI=1S/C12H19N3O/c1-9(2)10-5-3-4-6-11(10)16-8-7-15-12(13)14/h3-6,9H,7-8H2,1-2H3,(H4,13,14,15)
InChIKey
UYBTWXGXCNLIAH-UHFFFAOYSA-N
Compound name
2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.15282 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.16010 153.0
[M+Na]+ 244.14204 157.7
[M-H]- 220.14554 156.8
[M+NH4]+ 239.18664 170.6
[M+K]+ 260.11598 156.2
[M+H-H2O]+ 204.15008 145.5
[M+HCOO]- 266.15102 178.3
[M+CH3COO]- 280.16667 200.0
[M+Na-2H]- 242.12749 155.6
[M]+ 221.15227 151.3
[M]- 221.15337 151.3
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

patents stripe