CID 464128

Makaluvamine h

Structural Information

Molecular Formula
C12H14N3O
SMILES
CN1C=C2CC[N+](=C3C2=C1C(=O)C(=C3)N)C
InChI
InChI=1S/C12H13N3O/c1-14-4-3-7-6-15(2)11-10(7)9(14)5-8(13)12(11)16/h5-6,13H,3-4H2,1-2H3/p+1
InChIKey
CAGLNRILNZHCEL-UHFFFAOYSA-O
Compound name
10-amino-2,7-dimethyl-2-aza-7-azoniatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

3
Patents

216.1137 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.12098 148.2
[M+Na]+ 239.10292 158.7
[M-H]- 215.10642 151.0
[M+NH4]+ 234.14752 168.4
[M+K]+ 255.07686 149.0
[M+H-H2O]+ 199.11096 144.2
[M+HCOO]- 261.11190 167.2
[M+CH3COO]- 275.12755 186.9
[M+Na-2H]- 237.08837 155.2
[M]+ 216.11315 147.3
[M]- 216.11425 147.3
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