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]+ 203.12912 143.5
[M+Na]+ 225.11106 153.8
[M+NH4]+ 220.15566 151.7
[M+K]+ 241.08500 149.4
[M-H]- 201.11456 146.8
[M+Na-2H]- 223.09651 149.8
[M]+ 202.12129 145.6
[M]- 202.12239 145.6
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.