CID 9452

1-ethyl-1-phenylguanidine hydrochloride

Structural Information

Molecular Formula
C9H13N3
SMILES
CCN(C1=CC=CC=C1)C(=N)N
InChI
InChI=1S/C9H13N3/c1-2-12(9(10)11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,10,11)
InChIKey
XMHOJBPBXZZPBP-UHFFFAOYSA-N
Compound name
1-ethyl-1-phenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

163.11095 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.11823 135.9
[M+Na]+ 186.10017 141.0
[M-H]- 162.10367 140.4
[M+NH4]+ 181.14477 155.9
[M+K]+ 202.07411 140.0
[M+H-H2O]+ 146.10821 129.0
[M+HCOO]- 208.10915 162.6
[M+CH3COO]- 222.12480 188.2
[M+Na-2H]- 184.08562 141.9
[M]+ 163.11040 132.4
[M]- 163.11150 132.4
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