CID 45083652

97073-07-9

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CC(=C2N1CCC2)C=O
InChI
InChI=1S/C9H11NO/c1-7-5-8(6-11)9-3-2-4-10(7)9/h5-6H,2-4H2,1H3
InChIKey
LNXCMFJNJNUFNW-UHFFFAOYSA-N
Compound name
3-methyl-6,7-dihydro-5H-pyrrolizine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

149.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.9
[M+Na]+ 172.07328 140.7
[M-H]- 148.07678 134.6
[M+NH4]+ 167.11788 155.9
[M+K]+ 188.04722 138.6
[M+H-H2O]+ 132.08132 125.7
[M+HCOO]- 194.08226 154.6
[M+CH3COO]- 208.09791 175.6
[M+Na-2H]- 170.05873 134.8
[M]+ 149.08351 131.7
[M]- 149.08461 131.7
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