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]+ 205.144776 144.1
[M+Na]+ 227.126718 149.4
[M-H]- 203.130224 146.0
[M+NH4]+ 222.171323 163.1
[M+K]+ 243.100658 145.7
[M+H-H2O]+ 187.134760 136.7
[M+HCOO]- 249.135701 167.0
[M+CH3COO]- 263.151351 191.9
[M+Na-2H]- 225.112166 148.5
[M]+ 204.13695142 138.2
[M]- 204.13804858 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.