CID 138991003

2309433-08-5

Structural Information

Molecular Formula
C6H12ClNO
SMILES
CO[C@@H]1C[C@H](NC1)CCl
InChI
InChI=1S/C6H12ClNO/c1-9-6-2-5(3-7)8-4-6/h5-6,8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKey
UAWGIVWICKXEAE-NTSWFWBYSA-N
Compound name
(2S,4R)-2-(chloromethyl)-4-methoxypyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.06075 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06803 131.1
[M+Na]+ 172.04997 138.8
[M-H]- 148.05347 131.4
[M+NH4]+ 167.09457 153.0
[M+K]+ 188.02391 135.8
[M+H-H2O]+ 132.05801 126.1
[M+HCOO]- 194.05895 147.1
[M+CH3COO]- 208.07460 170.1
[M+Na-2H]- 170.03542 134.7
[M]+ 149.06020 129.7
[M]- 149.06130 129.7
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.