CID 135394870

1315192-61-0

Structural Information

Molecular Formula
C9H16ClNO2
SMILES
CC1(CN(C1)C(=O)OC(C)(C)C)Cl
InChI
InChI=1S/C9H16ClNO2/c1-8(2,3)13-7(12)11-5-9(4,10)6-11/h5-6H2,1-4H3
InChIKey
PUVGKPGCBHOJPD-UHFFFAOYSA-N
Compound name
tert-butyl 3-chloro-3-methylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08696 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09424 141.5
[M+Na]+ 228.07618 149.1
[M-H]- 204.07968 144.0
[M+NH4]+ 223.12078 156.2
[M+K]+ 244.05012 150.2
[M+H-H2O]+ 188.08422 133.5
[M+HCOO]- 250.08516 155.3
[M+CH3COO]- 264.10081 186.8
[M+Na-2H]- 226.06163 146.6
[M]+ 205.08641 153.3
[M]- 205.08751 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.