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]+ 172.144436 135.5
[M+Na]+ 194.126378 136.9
[M-H]- 170.129884 137.4
[M+NH4]+ 189.170983 151.9
[M+K]+ 210.100318 140.8
[M+H-H2O]+ 154.134420 127.9
[M+HCOO]- 216.135361 154.9
[M+CH3COO]- 230.151011 184.2
[M+Na-2H]- 192.111826 139.4
[M]+ 171.13661142 126.0
[M]- 171.13770858 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.