CID 43185810

2137604-86-3

Structural Information

Molecular Formula
C7H14N2O
SMILES
C1CCNC(=O)C(C1)CN
InChI
InChI=1S/C7H14N2O/c8-5-6-3-1-2-4-9-7(6)10/h6H,1-5,8H2,(H,9,10)
InChIKey
FVDVYUMFTBQHLF-UHFFFAOYSA-N
Compound name
3-(aminomethyl)azepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.11061 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 127.3
[M+Na]+ 165.09983 130.5
[M-H]- 141.10333 128.3
[M+NH4]+ 160.14443 144.8
[M+K]+ 181.07377 133.1
[M+H-H2O]+ 125.10787 121.0
[M+HCOO]- 187.10881 145.5
[M+CH3COO]- 201.12446 175.1
[M+Na-2H]- 163.08528 131.4
[M]+ 142.11006 117.4
[M]- 142.11116 117.4
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.