CID 30232

Carbonic acid, butyl ester, ester with salicylic acid

Structural Information

Molecular Formula
C12H14O5
SMILES
CCCCOC(=O)OC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C12H14O5/c1-2-3-8-16-12(15)17-10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKey
YTMGZSYPRSRQAU-UHFFFAOYSA-N
Compound name
2-butoxycarbonyloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

238.08412 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09140 151.1
[M+Na]+ 261.07334 157.7
[M-H]- 237.07684 153.3
[M+NH4]+ 256.11794 168.0
[M+K]+ 277.04728 156.7
[M+H-H2O]+ 221.08138 144.8
[M+HCOO]- 283.08232 172.8
[M+CH3COO]- 297.09797 187.8
[M+Na-2H]- 259.05879 154.2
[M]+ 238.08357 155.1
[M]- 238.08467 155.1
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