CID 9556492

Benzoic acid, 2-butoxy-3-methoxy-, 2-(butylideneaminooxy)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C18H27NO5
SMILES
CCCCOC1=C(C=CC=C1OC)C(=O)OCCO/N=C/CCC
InChI
InChI=1S/C18H27NO5/c1-4-6-11-19-24-14-13-23-18(20)15-9-8-10-16(21-3)17(15)22-12-7-5-2/h8-11H,4-7,12-14H2,1-3H3/b19-11+
InChIKey
CKLMPWDHZNNGFY-YBFXNURJSA-N
Compound name
2-[(E)-butylideneamino]oxyethyl 2-butoxy-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18893 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19621 181.1
[M+Na]+ 360.17815 186.0
[M-H]- 336.18165 185.1
[M+NH4]+ 355.22275 195.3
[M+K]+ 376.15209 184.9
[M+H-H2O]+ 320.18619 172.6
[M+HCOO]- 382.18713 205.6
[M+CH3COO]- 396.20278 216.1
[M+Na-2H]- 358.16360 182.8
[M]+ 337.18838 191.2
[M]- 337.18948 191.2
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

No patent data available for this compound.