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

10
Patents

238.08412 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.091396 151.1
[M+Na]+ 261.073338 157.7
[M-H]- 237.076844 153.3
[M+NH4]+ 256.117943 168.0
[M+K]+ 277.047278 156.7
[M+H-H2O]+ 221.081380 144.8
[M+HCOO]- 283.082321 172.8
[M+CH3COO]- 297.097971 187.8
[M+Na-2H]- 259.058786 154.2
[M]+ 238.08357142 155.1
[M]- 238.08466858 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