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]+ 175.086596 133.4
[M+Na]+ 197.068538 143.2
[M-H]- 173.072044 138.4
[M+NH4]+ 192.113143 156.5
[M+K]+ 213.042478 141.0
[M+H-H2O]+ 157.076580 128.0
[M+HCOO]- 219.077521 156.0
[M+CH3COO]- 233.093171 147.8
[M+Na-2H]- 195.053986 139.7
[M]+ 174.07877142 133.2
[M]- 174.07986858 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.