CID 976844

4-[2-(pyrrolidin-1-yl)ethoxy]benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

219.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.7
[M+Na]+ 242.11515 155.7
[M-H]- 218.11865 154.4
[M+NH4]+ 237.15975 168.2
[M+K]+ 258.08909 153.1
[M+H-H2O]+ 202.12319 141.9
[M+HCOO]- 264.12413 171.7
[M+CH3COO]- 278.13978 186.6
[M+Na-2H]- 240.10060 153.0
[M]+ 219.12538 149.4
[M]- 219.12648 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