CID 16157

2002-16-6

Structural Information

Molecular Formula
C7H9N3
SMILES
C1=CC=C(C=C1)N=C(N)N
InChI
InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
InChIKey
QRJZGVVKGFIGLI-UHFFFAOYSA-N
Compound name
2-phenylguanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

42
References

6066
Patents

135.07965 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.08693 126.0
[M+Na]+ 158.06887 132.2
[M-H]- 134.07237 130.2
[M+NH4]+ 153.11347 146.9
[M+K]+ 174.04281 130.8
[M+H-H2O]+ 118.07691 119.5
[M+HCOO]- 180.07785 153.7
[M+CH3COO]- 194.09350 180.6
[M+Na-2H]- 156.05432 133.3
[M]+ 135.07910 121.4
[M]- 135.08020 121.4
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.