CID 3936236

3-propyladamantan-1-amine

Structural Information

Molecular Formula
C13H23N
SMILES
CCCC12CC3CC(C1)CC(C3)(C2)N
InChI
InChI=1S/C13H23N/c1-2-3-12-5-10-4-11(6-12)8-13(14,7-10)9-12/h10-11H,2-9,14H2,1H3
InChIKey
COHBMLHLXRNIBJ-UHFFFAOYSA-N
Compound name
3-propyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

193.18304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.19032 149.8
[M+Na]+ 216.17226 152.4
[M-H]- 192.17576 144.8
[M+NH4]+ 211.21686 177.6
[M+K]+ 232.14620 148.4
[M+H-H2O]+ 176.18030 143.3
[M+HCOO]- 238.18124 157.1
[M+CH3COO]- 252.19689 158.4
[M+Na-2H]- 214.15771 160.4
[M]+ 193.18249 148.1
[M]- 193.18359 148.1
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