CID 547499

1-(adamantan-1-yl)propan-1-amine hydrochloride

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
1
Annotation Hits

9
References

162
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

literature stripe

Patent stripe

patents stripe