CID 59569

102585-20-6

Structural Information

Molecular Formula
C15H18N2O
SMILES
C1CC2CCC3=C2C(=C(C=C3)NC4=NCCO4)C1
InChI
InChI=1S/C15H18N2O/c1-2-10-4-5-11-6-7-13(12(3-1)14(10)11)17-15-16-8-9-18-15/h6-7,10H,1-5,8-9H2,(H,16,17)
InChIKey
SSLMZEDSHZQGQP-UHFFFAOYSA-N
Compound name
N-(1,2,6,7,8,8a-hexahydroacenaphthylen-5-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 152.3
[M+Na]+ 265.13112 158.1
[M-H]- 241.13462 158.8
[M+NH4]+ 260.17572 172.5
[M+K]+ 281.10506 155.1
[M+H-H2O]+ 225.13916 145.3
[M+HCOO]- 287.14010 171.0
[M+CH3COO]- 301.15575 164.2
[M+Na-2H]- 263.11657 156.3
[M]+ 242.14135 149.7
[M]- 242.14245 149.7
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.