CID 544380

Laburnine

Structural Information

Molecular Formula
C8H15NO
SMILES
C1CC2C(CCN2C1)CO
InChI
InChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2
InChIKey
LOFDEIYZIAVXHE-UHFFFAOYSA-N
Compound name
2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

112
Patents

141.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 132.6
[M+Na]+ 164.104588 139.0
[M-H]- 140.108094 133.8
[M+NH4]+ 159.149193 156.6
[M+K]+ 180.078528 137.3
[M+H-H2O]+ 124.112630 127.2
[M+HCOO]- 186.113571 151.8
[M+CH3COO]- 200.129221 170.5
[M+Na-2H]- 162.090036 135.1
[M]+ 141.11482142 128.5
[M]- 141.11591858 128.5
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