CID 3042321

Pyrrolizidine, 1,2-dehydro-1-chloromethyl-7-alpha-hydroxy-

Structural Information

Molecular Formula
C8H12ClNO
SMILES
C1CN2CC=C([C@@H]2[C@H]1O)CCl
InChI
InChI=1S/C8H12ClNO/c9-5-6-1-3-10-4-2-7(11)8(6)10/h1,7-8,11H,2-5H2/t7-,8+/m0/s1
InChIKey
QDXXVHBPXDVSGT-JGVFFNPUSA-N
Compound name
(1S,8R)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.06075 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.068026 138.2
[M+Na]+ 196.049968 147.4
[M-H]- 172.053474 140.0
[M+NH4]+ 191.094573 162.2
[M+K]+ 212.023908 143.4
[M+H-H2O]+ 156.058010 133.6
[M+HCOO]- 218.058951 154.2
[M+CH3COO]- 232.074601 175.1
[M+Na-2H]- 194.035416 140.4
[M]+ 173.06020142 137.7
[M]- 173.06129858 137.7
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

No patent data available for this compound.