CID 409902

Gramine methiodide

Structural Information

Molecular Formula
C12H17N2
SMILES
C[N+](C)(C)CC1=CNC2=CC=CC=C21
InChI
InChI=1S/C12H17N2/c1-14(2,3)9-10-8-13-12-7-5-4-6-11(10)12/h4-8,13H,9H2,1-3H3/q+1
InChIKey
IPYNIQBMIIXLIG-UHFFFAOYSA-N
Compound name
1H-indol-3-ylmethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

855
Patents

189.13918 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.14646 140.0
[M+Na]+ 212.12840 148.9
[M-H]- 188.13190 144.1
[M+NH4]+ 207.17300 161.4
[M+K]+ 228.10234 140.0
[M+H-H2O]+ 172.13644 136.8
[M+HCOO]- 234.13738 163.4
[M+CH3COO]- 248.15303 179.8
[M+Na-2H]- 210.11385 151.2
[M]+ 189.13863 140.0
[M]- 189.13973 140.0
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