CID 45115944

2305184-94-3

Structural Information

Molecular Formula
C6H10ClNO2
SMILES
COC(=O)[C@@H]1C[C@@H](CN1)Cl
InChI
InChI=1S/C6H10ClNO2/c1-10-6(9)5-2-4(7)3-8-5/h4-5,8H,2-3H2,1H3/t4-,5-/m0/s1
InChIKey
KIHQEVXNQJYINH-WHFBIAKZSA-N
Compound name
methyl (2S,4S)-4-chloropyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

163.04001 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.047286 133.0
[M+Na]+ 186.029228 140.8
[M-H]- 162.032734 133.6
[M+NH4]+ 181.073833 154.3
[M+K]+ 202.003168 138.2
[M+H-H2O]+ 146.037270 128.2
[M+HCOO]- 208.038211 148.5
[M+CH3COO]- 222.053861 171.4
[M+Na-2H]- 184.014676 135.5
[M]+ 163.03946142 131.8
[M]- 163.04055858 131.8
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

patents stripe