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

86
Patents

165.11537 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.122646 145.1
[M+Na]+ 188.104588 152.8
[M-H]- 164.108094 144.4
[M+NH4]+ 183.149193 166.5
[M+K]+ 204.078528 147.8
[M+H-H2O]+ 148.112630 146.1
[M+HCOO]- 210.113571 152.7
[M+CH3COO]- 224.129221 154.4
[M+Na-2H]- 186.090036 155.0
[M]+ 165.11482142 142.3
[M]- 165.11591858 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.