CID 12716581

2-hydroxy-4-(pyrrolidin-1-yl)benzaldehyde

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CCN(C1)C2=CC(=C(C=C2)C=O)O
InChI
InChI=1S/C11H13NO2/c13-8-9-3-4-10(7-11(9)14)12-5-1-2-6-12/h3-4,7-8,14H,1-2,5-6H2
InChIKey
JLOSVBJCDKETDE-UHFFFAOYSA-N
Compound name
2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

191.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.8
[M+Na]+ 214.08386 148.2
[M-H]- 190.08736 144.9
[M+NH4]+ 209.12846 160.1
[M+K]+ 230.05780 145.1
[M+H-H2O]+ 174.09190 134.0
[M+HCOO]- 236.09284 161.9
[M+CH3COO]- 250.10849 179.1
[M+Na-2H]- 212.06931 144.1
[M]+ 191.09409 138.3
[M]- 191.09519 138.3
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