CID 135474607

Makaluvamine i

Structural Information

Molecular Formula
C10H9N3O
SMILES
C1CN=C2C=C(C(=C3C2=C1C=N3)O)N
InChI
InChI=1S/C10H9N3O/c11-6-3-7-8-5(1-2-12-7)4-13-9(8)10(6)14/h3-4,14H,1-2,11H2
InChIKey
UTRVSXOLOJTIAD-UHFFFAOYSA-N
Compound name
10-amino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

187.07455 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08183 136.7
[M+Na]+ 210.06377 148.1
[M-H]- 186.06727 138.3
[M+NH4]+ 205.10837 157.5
[M+K]+ 226.03771 143.6
[M+H-H2O]+ 170.07181 130.1
[M+HCOO]- 232.07275 158.1
[M+CH3COO]- 246.08840 150.3
[M+Na-2H]- 208.04922 145.4
[M]+ 187.07400 137.6
[M]- 187.07510 137.6
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

No patent data available for this compound.