CID 77237

11-hydroxyundecanoic acid

Structural Information

Molecular Formula
C11H22O3
SMILES
C(CCCCCO)CCCCC(=O)O
InChI
InChI=1S/C11H22O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h12H,1-10H2,(H,13,14)
InChIKey
KNRCBASNXNXUQQ-UHFFFAOYSA-N
Compound name
11-hydroxyundecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1236
Patents

202.15689 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.164166 151.1
[M+Na]+ 225.146108 155.3
[M-H]- 201.149614 147.6
[M+NH4]+ 220.190713 168.8
[M+K]+ 241.120048 153.2
[M+H-H2O]+ 185.154150 145.8
[M+HCOO]- 247.155091 170.1
[M+CH3COO]- 261.170741 182.8
[M+Na-2H]- 223.131556 153.1
[M]+ 202.15634142 153.4
[M]- 202.15743858 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe