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]+ 150.068026 131.1
[M+Na]+ 172.049968 138.8
[M-H]- 148.053474 131.4
[M+NH4]+ 167.094573 153.0
[M+K]+ 188.023908 135.8
[M+H-H2O]+ 132.058010 126.1
[M+HCOO]- 194.058951 147.1
[M+CH3COO]- 208.074601 170.1
[M+Na-2H]- 170.035416 134.7
[M]+ 149.06020142 129.7
[M]- 149.06129858 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.