CID 45081325

623580-00-7

Structural Information

Molecular Formula

C₇H₁₀ClNO

SMILES

C1CC2C1CN(C2)C(=O)Cl

InChI

InChI=1S/C7H10ClNO/c8-7(10)9-3-5-1-2-6(5)4-9/h5-6H,1-4H2

InChIKey

XBGXAONDHMFSCO-UHFFFAOYSA-N

Compound name

3-azabicyclo[3.2.0]heptane-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 159.04509 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]+	160.05237	126.4
[M+Na]+	182.03431	133.8
[M-H]-	158.03781	129.2
[M+NH4]+	177.07891	143.3
[M+K]+	198.00825	133.9
[M+H-H2O]+	142.04235	117.3
[M+HCOO]-	204.04329	141.3
[M+CH3COO]-	218.05894	178.3
[M+Na-2H]-	180.01976	130.5
[M]+	159.04454	134.6
[M]-	159.04564	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe