CID 3631189

1-(4-ethylphenyl)guanidine carbonate

Structural Information

Molecular Formula
C9H13N3
SMILES
CCC1=CC=C(C=C1)N=C(N)N
InChI
InChI=1S/C9H13N3/c1-2-7-3-5-8(6-4-7)12-9(10)11/h3-6H,2H2,1H3,(H4,10,11,12)
InChIKey
UOSZGPBYQCNGKB-UHFFFAOYSA-N
Compound name
2-(4-ethylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

48
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 135.4
[M+Na]+ 186.10017 141.8
[M-H]- 162.10367 139.7
[M+NH4]+ 181.14477 155.5
[M+K]+ 202.07411 139.9
[M+H-H2O]+ 146.10821 128.8
[M+HCOO]- 208.10915 162.5
[M+CH3COO]- 222.12480 187.8
[M+Na-2H]- 184.08562 140.9
[M]+ 163.11040 131.9
[M]- 163.11150 131.9
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