CID 165897056

Tert-butyln-[1-(2-chloroacetyl)azetidin-3-yl]carbamate

Structural Information

Molecular Formula
C10H17ClN2O3
SMILES
CC(C)(C)OC(=O)NC1CN(C1)C(=O)CCl
InChI
InChI=1S/C10H17ClN2O3/c1-10(2,3)16-9(15)12-7-5-13(6-7)8(14)4-11/h7H,4-6H2,1-3H3,(H,12,15)
InChIKey
GRZHNGWDDVXKGP-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(2-chloroacetyl)azetidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

248.09277 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10005 155.2
[M+Na]+ 271.08199 160.2
[M-H]- 247.08549 157.0
[M+NH4]+ 266.12659 165.5
[M+K]+ 287.05593 161.5
[M+H-H2O]+ 231.09003 144.4
[M+HCOO]- 293.09097 168.9
[M+CH3COO]- 307.10662 196.2
[M+Na-2H]- 269.06744 157.3
[M]+ 248.09222 166.2
[M]- 248.09332 166.2
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