CID 10865

Phenylethylguanidine

Structural Information

Molecular Formula
C9H14N4
SMILES
C1=CC=C(C=C1)CCNN=C(N)N
InChI
InChI=1S/C9H14N4/c10-9(11)13-12-7-6-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H4,10,11,13)
InChIKey
NMLWFEJUWANVHA-UHFFFAOYSA-N
Compound name
2-(2-phenylethylamino)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

178.12184 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.12912 139.9
[M+Na]+ 201.11106 148.2
[M+NH4]+ 196.15566 147.6
[M+K]+ 217.08500 142.7
[M-H]- 177.11456 143.8
[M+Na-2H]- 199.09651 146.4
[M]+ 178.12129 141.7
[M]- 178.12239 141.7
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

patents stripe