CID 1502049

102284-41-3

Structural Information

Molecular Formula
C11H18ClNO3
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)CCl
InChI
InChI=1S/C11H18ClNO3/c1-11(2,3)16-10(15)13-6-4-5-8(13)9(14)7-12/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKey
FXJFCSOQVPPIHK-QMMMGPOBSA-N
Compound name
tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

247.09752 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10480 156.4
[M+Na]+ 270.08674 163.1
[M-H]- 246.09024 158.3
[M+NH4]+ 265.13134 175.2
[M+K]+ 286.06068 161.0
[M+H-H2O]+ 230.09478 151.5
[M+HCOO]- 292.09572 169.8
[M+CH3COO]- 306.11137 190.0
[M+Na-2H]- 268.07219 156.8
[M]+ 247.09697 158.6
[M]- 247.09807 158.6
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

patents stripe