CID 181729

42194-25-2

Structural Information

Molecular Formula
C13H23N
SMILES
CC12CC3(CC(C1)(CC(C2)(C3)N)C)C
InChI
InChI=1S/C13H23N/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11/h4-9,14H2,1-3H3
InChIKey
XOEUSMBMGXZZJL-UHFFFAOYSA-N
Compound name
3,5,7-trimethyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

168
Patents

193.18304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.19032 151.3
[M+Na]+ 216.17226 156.6
[M-H]- 192.17576 147.1
[M+NH4]+ 211.21686 182.8
[M+K]+ 232.14620 152.1
[M+H-H2O]+ 176.18030 144.2
[M+HCOO]- 238.18124 158.4
[M+CH3COO]- 252.19689 160.7
[M+Na-2H]- 214.15771 163.3
[M]+ 193.18249 150.6
[M]- 193.18359 150.6
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.