CID 22219949

2309456-55-9

Structural Information

Molecular Formula
C11H19ClN2O3
SMILES
CC1CN(CCN1C(=O)OC(C)(C)C)C(=O)Cl
InChI
InChI=1S/C11H19ClN2O3/c1-8-7-13(9(12)15)5-6-14(8)10(16)17-11(2,3)4/h8H,5-7H2,1-4H3
InChIKey
ZGNUEQDNAAGMNY-UHFFFAOYSA-N
Compound name
tert-butyl 4-carbonochloridoyl-2-methylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

262.10843 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11571 157.9
[M+Na]+ 285.09765 164.7
[M-H]- 261.10115 158.5
[M+NH4]+ 280.14225 173.3
[M+K]+ 301.07159 162.8
[M+H-H2O]+ 245.10569 152.0
[M+HCOO]- 307.10663 167.9
[M+CH3COO]- 321.12228 193.7
[M+Na-2H]- 283.08310 159.1
[M]+ 262.10788 158.9
[M]- 262.10898 158.9
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