CID 2842768

351329-88-9

Structural Information

Molecular Formula
C13H21NO
SMILES
CC12CC3CC(C1)(CC(C3)(C2)NC=O)C
InChI
InChI=1S/C13H21NO/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)14-9-15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKey
NYQWYYMEIBHRSB-UHFFFAOYSA-N
Compound name
N-(3,5-dimethyl-1-adamantyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

207.16231 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.169586 150.5
[M+Na]+ 230.151528 154.6
[M-H]- 206.155034 146.3
[M+NH4]+ 225.196133 179.7
[M+K]+ 246.125468 150.7
[M+H-H2O]+ 190.159570 143.7
[M+HCOO]- 252.160511 158.7
[M+CH3COO]- 266.176161 159.8
[M+Na-2H]- 228.136976 163.3
[M]+ 207.16176142 151.1
[M]- 207.16285858 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe