CID 16772094

1,4-diazepane-1-carboxamide

Structural Information

Molecular Formula
C6H13N3O
SMILES
C1CNCCN(C1)C(=O)N
InChI
InChI=1S/C6H13N3O/c7-6(10)9-4-1-2-8-3-5-9/h8H,1-5H2,(H2,7,10)
InChIKey
QDYWEAYMBBJBPO-UHFFFAOYSA-N
Compound name
1,4-diazepane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

143.10587 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.113146 127.7
[M+Na]+ 166.095088 130.5
[M-H]- 142.098594 127.2
[M+NH4]+ 161.139693 143.5
[M+K]+ 182.069028 133.6
[M+H-H2O]+ 126.103130 119.7
[M+HCOO]- 188.104071 144.0
[M+CH3COO]- 202.119721 174.0
[M+Na-2H]- 164.080536 131.9
[M]+ 143.10532142 116.9
[M]- 143.10641858 116.9
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

patents stripe