CID 3073286

147960-75-6

Structural Information

Molecular Formula
C13H25N
SMILES
CCCC(CC1=C(C(CC1)(C)C)C)N
InChI
InChI=1S/C13H25N/c1-5-6-12(14)9-11-7-8-13(3,4)10(11)2/h12H,5-9,14H2,1-4H3
InChIKey
QDELGRVNTFHAQJ-UHFFFAOYSA-N
Compound name
1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.1987 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.20598 148.9
[M+Na]+ 218.18792 155.2
[M-H]- 194.19142 151.9
[M+NH4]+ 213.23252 172.1
[M+K]+ 234.16186 152.9
[M+H-H2O]+ 178.19596 144.2
[M+HCOO]- 240.19690 170.7
[M+CH3COO]- 254.21255 190.8
[M+Na-2H]- 216.17337 149.6
[M]+ 195.19815 148.1
[M]- 195.19925 148.1
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.