CID 140628138

Tert-butyl (2s)-2-[chloro(hydroxyimino)methyl]pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H17ClN2O3
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1/C(=N/O)/Cl
InChI
InChI=1S/C10H17ClN2O3/c1-10(2,3)16-9(14)13-6-4-5-7(13)8(11)12-15/h7,15H,4-6H2,1-3H3/b12-8-/t7-/m0/s1
InChIKey
JTAJZIACJJWQCT-GIRFKFFRSA-N
Compound name
tert-butyl (2S)-2-[(Z)-C-chloro-N-hydroxycarbonimidoyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.09277 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10005 156.7
[M+Na]+ 271.08199 162.9
[M-H]- 247.08549 158.7
[M+NH4]+ 266.12659 175.1
[M+K]+ 287.05593 161.0
[M+H-H2O]+ 231.09003 151.4
[M+HCOO]- 293.09097 171.4
[M+CH3COO]- 307.10662 191.3
[M+Na-2H]- 269.06744 157.9
[M]+ 248.09222 157.6
[M]- 248.09332 157.6
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.