CID 12121520

532410-44-9

Structural Information

Molecular Formula
C9H16ClNO3
SMILES
CC(C)(C)OC(=O)N(C)CC(=O)CCl
InChI
InChI=1S/C9H16ClNO3/c1-9(2,3)14-8(13)11(4)6-7(12)5-10/h5-6H2,1-4H3
InChIKey
AHJXMPBSMCKMJD-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-chloro-2-oxopropyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08188 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.08916 147.5
[M+Na]+ 244.07110 154.4
[M-H]- 220.07460 149.4
[M+NH4]+ 239.11570 167.5
[M+K]+ 260.04504 154.1
[M+H-H2O]+ 204.07914 143.7
[M+HCOO]- 266.08008 165.2
[M+CH3COO]- 280.09573 192.4
[M+Na-2H]- 242.05655 150.6
[M]+ 221.08133 153.3
[M]- 221.08243 153.3
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.