CID 547499

60196-90-9

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

9
References

95
Patents

193.18304 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.19032 149.5
[M+Na]+ 216.17226 150.5
[M-H]- 192.17576 144.0
[M+NH4]+ 211.21686 175.2
[M+K]+ 232.14620 147.2
[M+H-H2O]+ 176.18030 143.6
[M+HCOO]- 238.18124 155.8
[M+CH3COO]- 252.19689 157.6
[M+Na-2H]- 214.15771 158.2
[M]+ 193.18249 146.8
[M]- 193.18359 146.8
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.