CID 10775244

3-[2-(1-pyrrolidinyl)ethoxy]benzaldehyde

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CCN(C1)CCOC2=CC=CC(=C2)C=O
InChI
InChI=1S/C13H17NO2/c15-11-12-4-3-5-13(10-12)16-9-8-14-6-1-2-7-14/h3-5,10-11H,1-2,6-9H2
InChIKey
NBHXDQSTKBOKNO-UHFFFAOYSA-N
Compound name
3-(2-pyrrolidin-1-ylethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

219.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 149.7
[M+Na]+ 242.115148 155.7
[M-H]- 218.118654 154.4
[M+NH4]+ 237.159753 168.2
[M+K]+ 258.089088 153.1
[M+H-H2O]+ 202.123190 141.9
[M+HCOO]- 264.124131 171.7
[M+CH3COO]- 278.139781 186.6
[M+Na-2H]- 240.100596 153.0
[M]+ 219.12538142 149.4
[M]- 219.12647858 149.4
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