CID 382216

Nsc669673

Structural Information

Molecular Formula
C13H22N2O
SMILES
C1C2CC3CC1CC(C2)(C3)CC(C(=O)N)N
InChI
InChI=1S/C13H22N2O/c14-11(12(15)16)7-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-11H,1-7,14H2,(H2,15,16)
InChIKey
GIFUIGLMTVCHRC-UHFFFAOYSA-N
Compound name
3-(1-adamantyl)-2-aminopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.17322 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18050 154.0
[M+Na]+ 245.16244 154.1
[M-H]- 221.16594 147.7
[M+NH4]+ 240.20704 177.7
[M+K]+ 261.13638 151.5
[M+H-H2O]+ 205.17048 148.5
[M+HCOO]- 267.17142 159.9
[M+CH3COO]- 281.18707 161.2
[M+Na-2H]- 243.14789 161.7
[M]+ 222.17267 150.1
[M]- 222.17377 150.1
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.