CID 58640225

1-phenylpyrrolidine-3-carbaldehyde

Structural Information

Molecular Formula
C11H13NO
SMILES
C1CN(CC1C=O)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO/c13-9-10-6-7-12(8-10)11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
InChIKey
TYHMTEXVWMSVFT-UHFFFAOYSA-N
Compound name
1-phenylpyrrolidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

175.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 137.4
[M+Na]+ 198.08894 144.4
[M-H]- 174.09244 142.5
[M+NH4]+ 193.13354 157.8
[M+K]+ 214.06288 141.7
[M+H-H2O]+ 158.09698 130.2
[M+HCOO]- 220.09792 159.9
[M+CH3COO]- 234.11357 178.5
[M+Na-2H]- 196.07439 141.8
[M]+ 175.09917 135.0
[M]- 175.10027 135.0
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