CID 3010140

Chembl4277543

Structural Information

Molecular Formula
C13H23N
SMILES
CC(C)(C12CC3CC(C1)CC(C3)C2)N
InChI
InChI=1S/C13H23N/c1-12(2,14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,3-8,14H2,1-2H3
InChIKey
NDDFDYJBIHXQIC-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

86
Patents

193.18304 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.19032 152.0
[M+Na]+ 216.17226 153.7
[M-H]- 192.17576 146.8
[M+NH4]+ 211.21686 177.9
[M+K]+ 232.14620 150.5
[M+H-H2O]+ 176.18030 146.7
[M+HCOO]- 238.18124 157.8
[M+CH3COO]- 252.19689 160.3
[M+Na-2H]- 214.15771 162.7
[M]+ 193.18249 149.7
[M]- 193.18359 149.7
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.