CID 652

7,8-diaminononanoic acid

Structural Information

Molecular Formula
C9H20N2O2
SMILES
CC(C(CCCCCC(=O)O)N)N
InChI
InChI=1S/C9H20N2O2/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)
InChIKey
KCEGBPIYGIWCDH-UHFFFAOYSA-N
Compound name
7,8-diaminononanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

39
References

1890
Patents

188.15248 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.159756 148.1
[M+Na]+ 211.141698 151.4
[M-H]- 187.145204 145.4
[M+NH4]+ 206.186303 165.6
[M+K]+ 227.115638 150.5
[M+H-H2O]+ 171.149740 142.2
[M+HCOO]- 233.150681 167.7
[M+CH3COO]- 247.166331 188.0
[M+Na-2H]- 209.127146 147.2
[M]+ 188.15193142 145.0
[M]- 188.15302858 145.0
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