CID 79886981

2287310-49-8

Structural Information

Molecular Formula

C₉H₁₇ClN₂O

SMILES

CC(C)(C)N1CCN(CC1)C(=O)Cl

InChI

InChI=1S/C9H17ClN2O/c1-9(2,3)12-6-4-11(5-7-12)8(10)13/h4-7H2,1-3H3

InChIKey

HBGAGDFFZGAVGI-UHFFFAOYSA-N

Compound name

4-tert-butylpiperazine-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 204.10294 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.11022	146.2
[M+Na]+	227.09216	152.8
[M-H]-	203.09566	146.3
[M+NH4]+	222.13676	163.6
[M+K]+	243.06610	150.3
[M+H-H2O]+	187.10020	140.1
[M+HCOO]-	249.10114	157.0
[M+CH3COO]-	263.11679	183.7
[M+Na-2H]-	225.07761	149.7
[M]+	204.10239	144.5
[M]-	204.10349	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe