CID 2106885

2-(pyrrolidin-1-yl)benzaldehyde

Structural Information

Molecular Formula
C11H13NO
SMILES
C1CCN(C1)C2=CC=CC=C2C=O
InChI
InChI=1S/C11H13NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-2,5-6,9H,3-4,7-8H2
InChIKey
QJHUKBIDTDKVSL-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

175.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 137.4
[M+Na]+ 198.088938 144.4
[M-H]- 174.092444 142.5
[M+NH4]+ 193.133543 157.8
[M+K]+ 214.062878 141.7
[M+H-H2O]+ 158.096980 130.2
[M+HCOO]- 220.097921 159.9
[M+CH3COO]- 234.113571 178.5
[M+Na-2H]- 196.074386 141.8
[M]+ 175.09917142 135.0
[M]- 175.10026858 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

literature stripe

Patent stripe

patents stripe