CID 57937

100531-21-3

Structural Information

Molecular Formula
C13H22N2O
SMILES
C1CCC2C(C1)CCCC2NC3=NCCO3
InChI
InChI=1S/C13H22N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h10-12H,1-9H2,(H,14,15)
InChIKey
ARGKDOYQHZOQEK-UHFFFAOYSA-N
Compound name
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.17322 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18050 151.2
[M+Na]+ 245.16244 153.6
[M-H]- 221.16594 156.0
[M+NH4]+ 240.20704 168.6
[M+K]+ 261.13638 151.8
[M+H-H2O]+ 205.17048 143.2
[M+HCOO]- 267.17142 166.8
[M+CH3COO]- 281.18707 161.4
[M+Na-2H]- 243.14789 154.5
[M]+ 222.17267 142.9
[M]- 222.17377 142.9
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

No patent data available for this compound.