CID 92605

Einecs 260-483-0

Structural Information

Molecular Formula
C19H31NO3
SMILES
CCCCCCCCCC1=CC(=C(C=C1)O)CN(C)CC(=O)O
InChI
InChI=1S/C19H31NO3/c1-3-4-5-6-7-8-9-10-16-11-12-18(21)17(13-16)14-20(2)15-19(22)23/h11-13,21H,3-10,14-15H2,1-2H3,(H,22,23)
InChIKey
QWMIDMZXGPGOFX-UHFFFAOYSA-N
Compound name
2-[(2-hydroxy-5-nonylphenyl)methyl-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

481
Patents

321.2304 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.23768 182.5
[M+Na]+ 344.21962 185.7
[M-H]- 320.22312 183.5
[M+NH4]+ 339.26422 195.9
[M+K]+ 360.19356 182.5
[M+H-H2O]+ 304.22766 174.9
[M+HCOO]- 366.22860 202.0
[M+CH3COO]- 380.24425 213.0
[M+Na-2H]- 342.20507 181.2
[M]+ 321.22985 186.5
[M]- 321.23095 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe