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]+ 184.144436 138.6
[M+Na]+ 206.126378 140.8
[M-H]- 182.129884 142.9
[M+NH4]+ 201.170983 153.9
[M+K]+ 222.100318 143.9
[M+H-H2O]+ 166.134420 129.1
[M+HCOO]- 228.135361 156.5
[M+CH3COO]- 242.151011 149.2
[M+Na-2H]- 204.111826 143.2
[M]+ 183.13661142 130.2
[M]- 183.13770858 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.