CID 394150

474010-98-5

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CC2(CCCN2C1)C=O
InChI
InChI=1S/C8H13NO/c10-7-8-3-1-5-9(8)6-2-4-8/h7H,1-6H2
InChIKey
VVWRHELZTWIQIE-UHFFFAOYSA-N
Compound name
1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

139.09972 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 131.1
[M+Na]+ 162.08894 138.3
[M-H]- 138.09244 133.8
[M+NH4]+ 157.13354 157.6
[M+K]+ 178.06288 136.9
[M+H-H2O]+ 122.09698 125.8
[M+HCOO]- 184.09792 152.1
[M+CH3COO]- 198.11357 170.8
[M+Na-2H]- 160.07439 135.8
[M]+ 139.09917 128.1
[M]- 139.10027 128.1
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