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]+ 338.196206 181.1
[M+Na]+ 360.178148 186.0
[M-H]- 336.181654 185.1
[M+NH4]+ 355.222753 195.3
[M+K]+ 376.152088 184.9
[M+H-H2O]+ 320.186190 172.6
[M+HCOO]- 382.187131 205.6
[M+CH3COO]- 396.202781 216.1
[M+Na-2H]- 358.163596 182.8
[M]+ 337.18838142 191.2
[M]- 337.18947858 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.