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

61
Patents

143.10587 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.11315 127.7
[M+Na]+ 166.09509 130.5
[M-H]- 142.09859 127.2
[M+NH4]+ 161.13969 143.5
[M+K]+ 182.06903 133.6
[M+H-H2O]+ 126.10313 119.7
[M+HCOO]- 188.10407 144.0
[M+CH3COO]- 202.11972 174.0
[M+Na-2H]- 164.08054 131.9
[M]+ 143.10532 116.9
[M]- 143.10642 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