CID 10865

Refchem:172679

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

4
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 137.6
[M+Na]+ 201.11106 142.2
[M-H]- 177.11456 141.4
[M+NH4]+ 196.15566 156.3
[M+K]+ 217.08500 140.3
[M+H-H2O]+ 161.11910 130.2
[M+HCOO]- 223.12004 165.7
[M+CH3COO]- 237.13569 191.9
[M+Na-2H]- 199.09651 144.2
[M]+ 178.12129 133.0
[M]- 178.12239 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe