CID 379452

Nsc664002

Structural Information

Molecular Formula
C9H17N3O
SMILES
C1CCCN(CC1)NC2=NCCO2
InChI
InChI=1S/C9H17N3O/c1-2-4-7-12(6-3-1)11-9-10-5-8-13-9/h1-8H2,(H,10,11)
InChIKey
BVSANVACGHQFRV-UHFFFAOYSA-N
Compound name
N-(azepan-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.13716 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.14444 138.6
[M+Na]+ 206.12638 140.8
[M-H]- 182.12988 142.9
[M+NH4]+ 201.17098 153.9
[M+K]+ 222.10032 143.9
[M+H-H2O]+ 166.13442 129.1
[M+HCOO]- 228.13536 156.5
[M+CH3COO]- 242.15101 149.2
[M+Na-2H]- 204.11183 143.2
[M]+ 183.13661 130.2
[M]- 183.13771 130.2
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.