CID 44917

63872-79-7

Structural Information

Molecular Formula
C14H25N
SMILES
CCCC(C12CC3CC(C1)CC(C3)C2)N
InChI
InChI=1S/C14H25N/c1-2-3-13(15)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-13H,2-9,15H2,1H3
InChIKey
ZYNAVLAJZAGVFQ-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

207.1987 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.20598 154.1
[M+Na]+ 230.18792 154.6
[M-H]- 206.19142 148.4
[M+NH4]+ 225.23252 179.2
[M+K]+ 246.16186 151.1
[M+H-H2O]+ 190.19596 148.0
[M+HCOO]- 252.19690 160.0
[M+CH3COO]- 266.21255 161.7
[M+Na-2H]- 228.17337 162.3
[M]+ 207.19815 151.6
[M]- 207.19925 151.6
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

patents stripe