CID 3613451

(3,8-dimethyladamantanyl)methylamine

Structural Information

Molecular Formula
C13H23N
SMILES
CC12CC3CC(C1)(CC(C3)(C2)CN)C
InChI
InChI=1S/C13H23N/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)9-14/h10H,3-9,14H2,1-2H3
InChIKey
GPYYBGAAAREIRT-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-1-adamantyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

10
Patents

193.18304 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.19032 150.9
[M+Na]+ 216.17226 154.8
[M-H]- 192.17576 146.3
[M+NH4]+ 211.21686 180.6
[M+K]+ 232.14620 150.6
[M+H-H2O]+ 176.18030 144.1
[M+HCOO]- 238.18124 158.1
[M+CH3COO]- 252.19689 159.9
[M+Na-2H]- 214.15771 162.2
[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.