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

16
Patents

149.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 130.9
[M+Na]+ 172.073278 140.7
[M-H]- 148.076784 134.6
[M+NH4]+ 167.117883 155.9
[M+K]+ 188.047218 138.6
[M+H-H2O]+ 132.081320 125.7
[M+HCOO]- 194.082261 154.6
[M+CH3COO]- 208.097911 175.6
[M+Na-2H]- 170.058726 134.8
[M]+ 149.08351142 131.7
[M]- 149.08460858 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