CID 71412603

1-formylpyrrolizidine(1+)

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CC2C(CCN2C1)C=O
InChI
InChI=1S/C8H13NO/c10-6-7-3-5-9-4-1-2-8(7)9/h6-8H,1-5H2
InChIKey
LUXKVBLHJUGCSC-UHFFFAOYSA-N
Compound name
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.09972 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 131.0
[M+Na]+ 162.08894 138.1
[M-H]- 138.09244 133.6
[M+NH4]+ 157.13354 155.7
[M+K]+ 178.06288 136.7
[M+H-H2O]+ 122.09698 125.4
[M+HCOO]- 184.09792 151.9
[M+CH3COO]- 198.11357 172.3
[M+Na-2H]- 160.07439 133.9
[M]+ 139.09917 128.0
[M]- 139.10027 128.0
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