CID 52536

Guanidine, 1-(2-(2-indolinyl)ethyl)-, sulfate (2:1)

Structural Information

Molecular Formula
C11H16N4
SMILES
C1C(NC2=CC=CC=C21)CCN=C(N)N
InChI
InChI=1S/C11H16N4/c12-11(13)14-6-5-9-7-8-3-1-2-4-10(8)15-9/h1-4,9,15H,5-7H2,(H4,12,13,14)
InChIKey
OPKOOWCTVIJCMJ-UHFFFAOYSA-N
Compound name
2-[2-(2,3-dihydro-1H-indol-2-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1375 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.14478 144.1
[M+Na]+ 227.12672 149.4
[M-H]- 203.13022 146.0
[M+NH4]+ 222.17132 163.1
[M+K]+ 243.10066 145.7
[M+H-H2O]+ 187.13476 136.7
[M+HCOO]- 249.13570 167.0
[M+CH3COO]- 263.15135 191.9
[M+Na-2H]- 225.11217 148.5
[M]+ 204.13695 138.2
[M]- 204.13805 138.2
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.