CID 3050993

(2-(2-isoindolyl)ethyl)guanidine

Structural Information

Molecular Formula
C11H14N4
SMILES
C1=CC2=CN(C=C2C=C1)CCN=C(N)N
InChI
InChI=1S/C11H14N4/c12-11(13)14-5-6-15-7-9-3-1-2-4-10(9)8-15/h1-4,7-8H,5-6H2,(H4,12,13,14)
InChIKey
PVHCELIAMKSOCX-UHFFFAOYSA-N
Compound name
2-(2-isoindol-2-ylethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.12184 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.129116 142.2
[M+Na]+ 225.111058 150.0
[M-H]- 201.114564 146.3
[M+NH4]+ 220.155663 162.2
[M+K]+ 241.084998 146.7
[M+H-H2O]+ 185.119100 134.5
[M+HCOO]- 247.120041 169.5
[M+CH3COO]- 261.135691 193.7
[M+Na-2H]- 223.096506 149.0
[M]+ 202.12129142 141.1
[M]- 202.12238858 141.1
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.