CID 427632

Nsc215132

Structural Information

Molecular Formula
C9H16N
SMILES
C[N+]12CCCC1C(=C)CC2
InChI
InChI=1S/C9H16N/c1-8-5-7-10(2)6-3-4-9(8)10/h9H,1,3-7H2,2H3/q+1
InChIKey
QVKQRPMAQKAUOX-UHFFFAOYSA-N
Compound name
4-methyl-7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.12828 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.13556 130.5
[M+Na]+ 161.11750 138.1
[M-H]- 137.12100 133.6
[M+NH4]+ 156.16210 157.3
[M+K]+ 177.09144 130.5
[M+H-H2O]+ 121.12554 128.4
[M+HCOO]- 183.12648 150.5
[M+CH3COO]- 197.14213 166.4
[M+Na-2H]- 159.10295 136.4
[M]+ 138.12773 125.0
[M]- 138.12883 125.0
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

No patent data available for this compound.