CID 657066

1yyr

Structural Information

Molecular Formula
C14H25N
SMILES
CC1=CC[C@@H](CC1)N(C)CCC=C(C)C
InChI
InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/t14-/m0/s1
InChIKey
GGPFTSMJRHEOJG-AWEZNQCLSA-N
Compound name
(1R)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

207.1987 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.20598 153.1
[M+Na]+ 230.18792 156.7
[M-H]- 206.19142 157.0
[M+NH4]+ 225.23252 172.5
[M+K]+ 246.16186 155.3
[M+H-H2O]+ 190.19596 146.6
[M+HCOO]- 252.19690 173.8
[M+CH3COO]- 266.21255 196.0
[M+Na-2H]- 228.17337 154.2
[M]+ 207.19815 151.4
[M]- 207.19925 151.4
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