CID 16771442

2-(azepan-1-yl)-n'-hydroxyethanimidamide

Structural Information

Molecular Formula
C8H17N3O
SMILES
C1CCCN(CC1)C/C(=N/O)/N
InChI
InChI=1S/C8H17N3O/c9-8(10-12)7-11-5-3-1-2-4-6-11/h12H,1-7H2,(H2,9,10)
InChIKey
FMLZDRMKPOUTQO-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)-N'-hydroxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.13716 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.14444 135.5
[M+Na]+ 194.12638 136.9
[M-H]- 170.12988 137.4
[M+NH4]+ 189.17098 151.9
[M+K]+ 210.10032 140.8
[M+H-H2O]+ 154.13442 127.9
[M+HCOO]- 216.13536 154.9
[M+CH3COO]- 230.15101 184.2
[M+Na-2H]- 192.11183 139.4
[M]+ 171.13661 126.0
[M]- 171.13771 126.0
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.