CID 369222

Nsc640928

Structural Information

Molecular Formula
C17H29NO
SMILES
CC(C)N(C(C)C)C(=O)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C17H29NO/c1-11(2)18(12(3)4)16(19)17-8-13-5-14(9-17)7-15(6-13)10-17/h11-15H,5-10H2,1-4H3
InChIKey
VADNJKCDNAJFKT-UHFFFAOYSA-N
Compound name
N,N-di(propan-2-yl)adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

263.2249 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.23218 170.2
[M+Na]+ 286.21412 168.7
[M-H]- 262.21762 165.4
[M+NH4]+ 281.25872 193.4
[M+K]+ 302.18806 167.2
[M+H-H2O]+ 246.22216 163.8
[M+HCOO]- 308.22310 174.1
[M+CH3COO]- 322.23875 213.4
[M+Na-2H]- 284.19957 174.8
[M]+ 263.22435 169.9
[M]- 263.22545 169.9
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