CID 102468814

897388-44-2

Structural Information

Molecular Formula
C10H10N2O
SMILES
C1[C@H]2[C@@H](C3=CC=CC=C31)N=C(O2)N
InChI
InChI=1S/C10H10N2O/c11-10-12-9-7-4-2-1-3-6(7)5-8(9)13-10/h1-4,8-9H,5H2,(H2,11,12)/t8-,9+/m0/s1
InChIKey
KZBHRJDGRXUMLF-DTWKUNHWSA-N
Compound name
(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.07932 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 133.4
[M+Na]+ 197.06854 143.2
[M-H]- 173.07204 138.4
[M+NH4]+ 192.11314 156.5
[M+K]+ 213.04248 141.0
[M+H-H2O]+ 157.07658 128.0
[M+HCOO]- 219.07752 156.0
[M+CH3COO]- 233.09317 147.8
[M+Na-2H]- 195.05399 139.7
[M]+ 174.07877 133.2
[M]- 174.07987 133.2
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.