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]+ 174.06803 138.2
[M+Na]+ 196.04997 147.4
[M-H]- 172.05347 140.0
[M+NH4]+ 191.09457 162.2
[M+K]+ 212.02391 143.4
[M+H-H2O]+ 156.05801 133.6
[M+HCOO]- 218.05895 154.2
[M+CH3COO]- 232.07460 175.1
[M+Na-2H]- 194.03542 140.4
[M]+ 173.06020 137.7
[M]- 173.06130 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.