CID 99564

Dehydrosupinidine

Structural Information

Molecular Formula
C8H11NO
SMILES
C1CC2=C(C=CN2C1)CO
InChI
InChI=1S/C8H11NO/c10-6-7-3-5-9-4-1-2-8(7)9/h3,5,10H,1-2,4,6H2
InChIKey
DPOGOYOVPDMVBA-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolizin-1-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

137.08406 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 128.2
[M+Na]+ 160.07328 136.8
[M-H]- 136.07678 130.3
[M+NH4]+ 155.11788 152.7
[M+K]+ 176.04722 134.7
[M+H-H2O]+ 120.08132 123.0
[M+HCOO]- 182.08226 150.5
[M+CH3COO]- 196.09791 169.7
[M+Na-2H]- 158.05873 132.9
[M]+ 137.08351 127.1
[M]- 137.08461 127.1
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