CID 447259

(4r)-7aza-7,8-dihydrolimonene

Structural Information

Molecular Formula
C9H17N
SMILES
CC1=CC[C@@H](CC1)N(C)C
InChI
InChI=1S/C9H17N/c1-8-4-6-9(7-5-8)10(2)3/h4,9H,5-7H2,1-3H3/t9-/m0/s1
InChIKey
LDFVYCXKPXXSNO-VIFPVBQESA-N
Compound name
(1R)-N,N,4-trimethylcyclohex-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

139.1361 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 130.9
[M+Na]+ 162.12532 136.4
[M-H]- 138.12882 135.6
[M+NH4]+ 157.16992 153.1
[M+K]+ 178.09926 136.5
[M+H-H2O]+ 122.13336 125.1
[M+HCOO]- 184.13430 154.1
[M+CH3COO]- 198.14995 181.6
[M+Na-2H]- 160.11077 136.0
[M]+ 139.13555 128.8
[M]- 139.13665 128.8
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