CID 170806

49744-35-6

Structural Information

Molecular Formula
C12H17NO4
SMILES
COCCOCCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C12H17NO4/c1-15-6-7-16-8-9-17-12(14)10-2-4-11(13)5-3-10/h2-5H,6-9,13H2,1H3
InChIKey
KRCFNZKIXDOQFX-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

239.11575 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12303 153.4
[M+Na]+ 262.10497 159.4
[M-H]- 238.10847 156.2
[M+NH4]+ 257.14957 170.4
[M+K]+ 278.07891 158.4
[M+H-H2O]+ 222.11301 146.3
[M+HCOO]- 284.11395 177.5
[M+CH3COO]- 298.12960 193.2
[M+Na-2H]- 260.09042 157.3
[M]+ 239.11520 157.3
[M]- 239.11630 157.3
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