CID 80461712

1368920-70-0

Structural Information

Molecular Formula
C9H14N2O
SMILES
C1CCC2=C(CC1)ON=C2CN
InChI
InChI=1S/C9H14N2O/c10-6-8-7-4-2-1-3-5-9(7)12-11-8/h1-6,10H2
InChIKey
XGHSOUVFYMJHIA-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 131.9
[M+Na]+ 189.09983 137.2
[M-H]- 165.10333 136.2
[M+NH4]+ 184.14443 150.9
[M+K]+ 205.07377 139.6
[M+H-H2O]+ 149.10787 125.7
[M+HCOO]- 211.10881 152.0
[M+CH3COO]- 225.12446 144.4
[M+Na-2H]- 187.08528 137.9
[M]+ 166.11006 126.7
[M]- 166.11116 126.7
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.