CID 10176752

N-nonanoylglycine

Structural Information

Molecular Formula
C11H21NO3
SMILES
CCCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C11H21NO3/c1-2-3-4-5-6-7-8-10(13)12-9-11(14)15/h2-9H2,1H3,(H,12,13)(H,14,15)
InChIKey
JXDFEUKNHBHUCP-UHFFFAOYSA-N
Compound name
2-(nonanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

215.15215 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 153.5
[M+Na]+ 238.14137 157.5
[M-H]- 214.14487 151.5
[M+NH4]+ 233.18597 171.0
[M+K]+ 254.11531 156.1
[M+H-H2O]+ 198.14941 147.6
[M+HCOO]- 260.15035 174.3
[M+CH3COO]- 274.16600 189.7
[M+Na-2H]- 236.12682 155.1
[M]+ 215.15160 155.5
[M]- 215.15270 155.5
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