CID 70076365

2138192-21-7

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

C1C[C@@H]2C[C@@]2(NC1)C(=O)N

InChI

InChI=1S/C7H12N2O/c8-6(10)7-4-5(7)2-1-3-9-7/h5,9H,1-4H2,(H2,8,10)/t5-,7+/m1/s1

InChIKey

AKHNEDGQGKATTE-VDTYLAMSSA-N

Compound name

(1S,6R)-2-azabicyclo[4.1.0]heptane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 140.09496 Da
Monoisotopic Mass: -0.5
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]+	141.102236	132.5
[M+Na]+	163.084178	140.5
[M-H]-	139.087684	134.5
[M+NH4]+	158.128783	149.4
[M+K]+	179.058118	137.8
[M+H-H2O]+	123.092220	127.3
[M+HCOO]-	185.093161	150.3
[M+CH3COO]-	199.108811	175.8
[M+Na-2H]-	161.069626	139.3
[M]+	140.09441142	129.1
[M]-	140.09550858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe