CID 10656736

Methyl 9-aminononanoate hydrochloride

Structural Information

Molecular Formula
C10H21NO2
SMILES
COC(=O)CCCCCCCCN
InChI
InChI=1S/C10H21NO2/c1-13-10(12)8-6-4-2-3-5-7-9-11/h2-9,11H2,1H3
InChIKey
XOVWENKUOYOTSR-UHFFFAOYSA-N
Compound name
methyl 9-aminononanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

187.15723 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.16451 147.0
[M+Na]+ 210.14645 151.8
[M-H]- 186.14995 146.1
[M+NH4]+ 205.19105 166.3
[M+K]+ 226.12039 150.9
[M+H-H2O]+ 170.15449 141.3
[M+HCOO]- 232.15543 169.6
[M+CH3COO]- 246.17108 186.6
[M+Na-2H]- 208.13190 149.8
[M]+ 187.15668 149.4
[M]- 187.15778 149.4
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