CID 3056050

73335-95-2

Structural Information

Molecular Formula
C12H19NO
SMILES
CC(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@H]3[C@@H]2CCC3
InChI
InChI=1S/C12H19NO/c1-7(14)13-12-6-8-5-11(12)10-4-2-3-9(8)10/h8-12H,2-6H2,1H3,(H,13,14)/t8-,9-,10-,11-,12-/m1/s1
InChIKey
JBSRXWWWDDOZPL-LZQZFOIKSA-N
Compound name
N-[(1R,2R,6R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 148.7
[M+Na]+ 216.13589 154.3
[M-H]- 192.13939 152.2
[M+NH4]+ 211.18049 175.6
[M+K]+ 232.10983 151.8
[M+H-H2O]+ 176.14393 144.9
[M+HCOO]- 238.14487 168.3
[M+CH3COO]- 252.16052 187.6
[M+Na-2H]- 214.12134 148.6
[M]+ 193.14612 145.7
[M]- 193.14722 145.7
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.