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

3
Patents

140.09496 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 132.5
[M+Na]+ 163.08418 140.5
[M-H]- 139.08768 134.5
[M+NH4]+ 158.12878 149.4
[M+K]+ 179.05812 137.8
[M+H-H2O]+ 123.09222 127.3
[M+HCOO]- 185.09316 150.3
[M+CH3COO]- 199.10881 175.8
[M+Na-2H]- 161.06963 139.3
[M]+ 140.09441 129.1
[M]- 140.09551 129.1
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.