CID 31434

Nsc 145164

Structural Information

Molecular Formula
C10H15NO
SMILES
C1[C@H]2CC3CC1CC(C2)NC3=O
InChI
InChI=1S/C10H15NO/c12-10-8-2-6-1-7(3-8)5-9(4-6)11-10/h6-9H,1-5H2,(H,11,12)/t6-,7?,8?,9?/m0/s1
InChIKey
OKDJIRNQPPBDKJ-JUGFDQIVSA-N
Compound name
(8S)-4-azatricyclo[4.3.1.13,8]undecan-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

73
Patents

165.11537 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 145.1
[M+Na]+ 188.10459 152.8
[M-H]- 164.10809 144.4
[M+NH4]+ 183.14919 166.5
[M+K]+ 204.07853 147.8
[M+H-H2O]+ 148.11263 146.1
[M+HCOO]- 210.11357 152.7
[M+CH3COO]- 224.12922 154.4
[M+Na-2H]- 186.09004 155.0
[M]+ 165.11482 142.3
[M]- 165.11592 142.3
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.