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

72
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 123.9
[M+Na]+ 188.10459 128.6
[M+NH4]+ 183.14919 131.5
[M+K]+ 204.07853 127.1
[M-H]- 164.10809 121.2
[M+Na-2H]- 186.09004 122.1
[M]+ 165.11482 123.7
[M]- 165.11592 123.7
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.