CID 21746385

1-ethylpyrrolidine-2-carbaldehyde

Structural Information

Molecular Formula
C7H13NO
SMILES
CCN1CCCC1C=O
InChI
InChI=1S/C7H13NO/c1-2-8-5-3-4-7(8)6-9/h6-7H,2-5H2,1H3
InChIKey
JZTDQNCGEQOQLX-UHFFFAOYSA-N
Compound name
1-ethylpyrrolidine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

127.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 126.9
[M+Na]+ 150.088938 134.2
[M-H]- 126.092444 128.8
[M+NH4]+ 145.133543 149.6
[M+K]+ 166.062878 133.4
[M+H-H2O]+ 110.096980 121.1
[M+HCOO]- 172.097921 149.0
[M+CH3COO]- 186.113571 171.1
[M+Na-2H]- 148.074386 131.1
[M]+ 127.09917142 125.5
[M]- 127.10026858 125.5
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