CID 3010128

3-methyladamantan-1-amine

Structural Information

Molecular Formula
C11H19N
SMILES
CC12CC3CC(C1)CC(C3)(C2)N
InChI
InChI=1S/C11H19N/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9H,2-7,12H2,1H3
InChIKey
MWMFMCTUGUZSJJ-UHFFFAOYSA-N
Compound name
3-methyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

77
Patents

165.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.15903 140.8
[M+Na]+ 188.14097 144.3
[M-H]- 164.14447 136.2
[M+NH4]+ 183.18557 169.7
[M+K]+ 204.11491 140.7
[M+H-H2O]+ 148.14901 134.7
[M+HCOO]- 210.14995 148.8
[M+CH3COO]- 224.16560 150.3
[M+Na-2H]- 186.12642 152.5
[M]+ 165.15120 138.5
[M]- 165.15230 138.5
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