CID 39448

(2-(p-tolyloxy)ethyl)guanidine

Structural Information

Molecular Formula
C10H15N3O
SMILES
CC1=CC=C(C=C1)OCCN=C(N)N
InChI
InChI=1S/C10H15N3O/c1-8-2-4-9(5-3-8)14-7-6-13-10(11)12/h2-5H,6-7H2,1H3,(H4,11,12,13)
InChIKey
ZYYNYTIHLRPCFQ-UHFFFAOYSA-N
Compound name
2-[2-(4-methylphenoxy)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

193.1215 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.12878 142.9
[M+Na]+ 216.11072 148.7
[M-H]- 192.11422 146.9
[M+NH4]+ 211.15532 161.7
[M+K]+ 232.08466 147.1
[M+H-H2O]+ 176.11876 135.7
[M+HCOO]- 238.11970 169.8
[M+CH3COO]- 252.13535 193.0
[M+Na-2H]- 214.09617 147.8
[M]+ 193.12095 141.1
[M]- 193.12205 141.1
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