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]+ 196.205976 148.9
[M+Na]+ 218.187918 155.2
[M-H]- 194.191424 151.9
[M+NH4]+ 213.232523 172.1
[M+K]+ 234.161858 152.9
[M+H-H2O]+ 178.195960 144.2
[M+HCOO]- 240.196901 170.7
[M+CH3COO]- 254.212551 190.8
[M+Na-2H]- 216.173366 149.6
[M]+ 195.19815142 148.1
[M]- 195.19924858 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.